SCHEMBL18878391

SCHEMBL18878391

CC(C)c1cnn(-c2ccccc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.45
CFTR P13569 5/20 0.41
DYRK1B Q9Y463 5/20 0.41
MTOR P42345 1/20 0.40
NOTUM Q6P988 1/20 0.40
ADORA1 P30542 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
ESRRA P11474 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MELK Q14680 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14947692 0.87 GRM4 (0.43) GRM4CFTRDYRK1BMTORNOTUM
SCHEMBL14947693 0.87 GRM4 (0.43) GRM4CFTRDYRK1BMTORNOTUM
SCHEMBL20282465 0.84 CFTR (0.44) GRM4CFTRDYRK1BMTORNOTUM
SCHEMBL18254780 0.81 RXRA (0.40) ESRRAADORA3POLB
SCHEMBL2609426 0.81 CFTR (0.43) CFTR
SCHEMBL30036869 0.80 CFTR (0.43) GRM4CFTRDYRK1BMTORNOTUM
SCHEMBL20162857 0.80 CFTR (0.43) GRM4CFTRDYRK1BMTORNOTUM
SCHEMBL20163069 0.80 CFTR (0.43) GRM4CFTRDYRK1BMTORNOTUM
SCHEMBL30038218 0.80 CFTR (0.43) GRM4CFTRDYRK1BMTORNOTUM
SCHEMBL17066201 0.80 ALDH1A1 (0.41) MTORNOTUMDRD4DRD3ADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2020-09-08 US disclosed
US-10745398-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-08-18 US disclosed
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-07 US disclosed
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS PFIZER INC. 2019-10-31 US disclosed
US-10377762-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2019-08-13 US disclosed
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 US disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-02-19 US disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-06-21 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 GRM4 1784/4885CFTR 2672/4885DYRK1B 1343/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A GRM4 1140/4885CFTR 1345/4885DYRK1B 4373/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC GRM4 3701/4885CFTR 2932/4885DYRK1B 706/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC GRM4 3701/4885CFTR 2932/4885DYRK1B 706/4885
US-10377762-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 GRM4 2431/4885CFTR 1/4885DYRK1B 1247/4885
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RX3 GRM4 2637/4885CFTR 1/4885DYRK1B 1191/4885
US-10745398-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides CYP4X1, CYP1A1, CYP8B1 GRM4 2064/4885CFTR 2217/4885DYRK1B 4118/4885
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, SLC26A3, P2RY2 GRM4 2431/4885CFTR 1/4885DYRK1B 1247/4885
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 GRM4 2223/4885CFTR 1/4885DYRK1B 1487/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 GRM4 1629/4885CFTR 4224/4885DYRK1B 566/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 GRM4 2805/4885CFTR 1694/4885DYRK1B 4269/4885
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 GRM4 2431/4885CFTR 1/4885DYRK1B 1247/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 GRM4 3389/4885CFTR 3987/4885DYRK1B 3266/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC GRM4 3701/4885CFTR 2932/4885DYRK1B 706/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A GRM4 1140/4885CFTR 1345/4885DYRK1B 4373/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.