SCHEMBL18878398

SCHEMBL18878398

CC(C)c1cccn1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2E1 P05181 2/20 0.50
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
CYP2A13 Q16696 1/20 0.39
ELANE P08246 1/20 0.38
POLB P06746 1/20 0.38
AR P10275 1/20 0.37
ALOX12 P18054 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL20289036 0.86 CYP2A6 (0.47) CYP2A6CYP3A4CYP2E1LMNAALDH1A1
SCHEMBL21143472 0.85 CYP2A6 (0.46) CYP2A6CYP3A4CYP2E1LMNAALDH1A1
SCHEMBL12040840 0.81 ATM (0.45) CYP3A4LMNAALDH1A1POLBKDM4E
SCHEMBL24227151 0.76 CYP17A1 (0.39) CYP2A6CYP3A4CYP2E1LMNA
SCHEMBL12349882 0.76 CYP2A6 (0.59) CYP2A6CYP3A4CYP2E1ALDH1A1HTT
SCHEMBL28195188 0.72 CYP2A6 (0.50) CYP2A6CYP3A4CYP2E1ALDH1A1HTT
SCHEMBL2609418 0.72 ALDH1A1 (0.39) CYP3A4LMNAALDH1A1HTTELANE
SCHEMBL18878424 0.72 RPS6KA5 (0.40) LMNAALDH1A1
SCHEMBL22339813 0.71 CYP2A6 (0.50) CYP2A6CYP3A4CYP2E1ALDH1A1HTT
SCHEMBL17521752 0.71 CYP2A6 (0.50) CYP2A6CYP3A4CYP2E1LMNAALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-02-29 US disclosed
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-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-07 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-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-17 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-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 (11 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 CYP2A6 3561/4885CYP3A4 4206/4885CYP2E1 3171/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A CYP2A6 2832/4885CYP3A4 3930/4885CYP2E1 700/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC CYP2A6 4636/4885CYP3A4 4863/4885CYP2E1 4816/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CYP2A6 4636/4885CYP3A4 4863/4885CYP2E1 4816/4885
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CYP2A6 4636/4885CYP3A4 4863/4885CYP2E1 4816/4885
US-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE TRIM33, TRIM28, TRIM4 CYP2A6 4183/4885CYP3A4 3554/4885CYP2E1 3636/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 CYP2A6 3774/4885CYP3A4 4346/4885CYP2E1 4090/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 CYP2A6 2956/4885CYP3A4 4229/4885CYP2E1 1791/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 CYP2A6 3826/4885CYP3A4 4417/4885CYP2E1 2555/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CYP2A6 4636/4885CYP3A4 4863/4885CYP2E1 4816/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A CYP2A6 2832/4885CYP3A4 3930/4885CYP2E1 700/4885

“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.