SCHEMBL20263181

SCHEMBL20263181

CCC(=O)c1cn(-c2ccc(F)c(F)c2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
RXRA P19793 5/20 0.47
GRIN1 Q05586 5/20 0.47
GRIN2B Q13224 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM1A O60341 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ESRRA P11474 2/20 0.43
NOTUM Q6P988 2/20 0.42
KCNH2 Q12809 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MIF P14174 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL24380270 0.84 CA1 (0.52) KMT2ANPC1RAB9ASMN1; SMN2ESRRA
SCHEMBL20263208 0.80 GRIN2B (0.46) KMT2ARXRAGRIN1GRIN2BNPC1
SCHEMBL24380262 0.78 ESRRA (0.55) NPC1ESRRANOTUMMIFCA1
SCHEMBL22643285 0.77 CTSK (0.49) KMT2ARXRAGRIN1GRIN2BNPC1
SCHEMBL20263241 0.77 ACKR3 (0.49) KMT2AALDH1A1MAPTSIGMAR1
SCHEMBL18933508 0.75 KMT2A (0.42) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20282459 0.73 RXRA (0.48) RXRAGRIN1GRIN2BKCNH2SIGMAR1
SCHEMBL20282458 0.73 RXRA (0.48) RXRAGRIN1GRIN2BKCNH2SIGMAR1
SCHEMBL20282376 0.72 AR (0.48) RXRAGRIN1GRIN2BKCNH2SIGMAR1
SCHEMBL19211402 0.72 NOTUM (0.66) RXRAGRIN1GRIN2BKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3554506-B1 BYCYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUND (US) 2021-04-28 EP disclosed
EP-3554506-B1 BYCYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUND (US) 2021-04-28 EP disclosed
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2020-09-08 US disclosed
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2020-09-08 US disclosed
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS PFIZER INC. 2019-10-31 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-10377762-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2019-08-13 US disclosed
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-02-19 US disclosed
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-02-19 US disclosed
US-20190016728-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-01-17 US disclosed
US-20190016728-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-01-17 US disclosed
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-01-17 US disclosed
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2019-01-17 US disclosed
US-10131670-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-11-20 US disclosed
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, 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-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-06-21 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 (8 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-10377762-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 KMT2A 4343/4885RXRA 1597/4885GRIN1 1506/4885
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RX3 KMT2A 4604/4885RXRA 1466/4885GRIN1 1593/4885
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, SLC26A3, P2RY2 KMT2A 4343/4885RXRA 1597/4885GRIN1 1506/4885
US-20190016728-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 KMT2A 4638/4885RXRA 1470/4885GRIN1 1227/4885
US-10131670-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, P2RY2, P2RX5 KMT2A 4638/4885RXRA 1470/4885GRIN1 1227/4885
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 KMT2A 4638/4885RXRA 1470/4885GRIN1 1227/4885
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 KMT2A 4638/4885RXRA 1470/4885GRIN1 1227/4885
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 KMT2A 4343/4885RXRA 1597/4885GRIN1 1506/4885

“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.