SCHEMBL20263291

SCHEMBL20263291

CC(=O)c1cn(-c2ccccc2F)nn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
ESRRA P11474 3/20 0.46
GRM1 Q13255 3/20 0.43
GRM5 P41594 2/20 0.43
CA5A P35218 2/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KCNMA1 Q12791 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GSK3B P49841 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA3 P0DMS8 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
SCHEMBL30280499 1.00 NOTUM (0.55) NOTUMESRRAGRM1GRM5CA5A
SCHEMBL2220827 0.86 NOTUM (0.56) NOTUMESRRAGRM1GRM5CA5A
SCHEMBL30398923 0.84 NOTUM (0.55) NOTUMESRRAGRM1GRM5CA5A
SCHEMBL28033304 0.84 NOTUM (0.55) NOTUMESRRAGRM1GRM5CA5A
SCHEMBL20263260 0.82 ACKR3 (0.52) SMN1; SMN2
SCHEMBL17365300 0.81 RXRA (0.48) NOTUMESRRAKMT2AGSK3BSMN1; SMN2
SCHEMBL1422761 0.80 ALDH1A1 (0.54) NOTUMESRRACA2CA9NPSR1
SCHEMBL15933192 0.80 RXRA (0.48)
SCHEMBL17454512 0.79 ESRRA (0.48) NOTUMESRRAGRM1GRM5CA5A
SCHEMBL23889183 0.77 ESRRA (0.59) NOTUMESRRACA2CA9

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 11 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
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
EP-3554506-A1 BYCYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS Cystic Fibrosis Foundation Therapeutics, Inc. (US) 2019-10-23 EP 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-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-10131670-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-11-20 US disclosed
WO-2018112149-A1 BYCYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATON THERAPEUTICS INC. (US) 2018-06-21 WO 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 NOTUM 2987/4885ESRRA 1916/4885GRM1 1545/4885
US-10208053-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RX3 NOTUM 3382/4885ESRRA 1873/4885GRM1 1948/4885
US-20190330219-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, SLC26A3, P2RY2 NOTUM 2987/4885ESRRA 1916/4885GRM1 1545/4885
US-20190016728-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 NOTUM 3428/4885ESRRA 2508/4885GRM1 1450/4885
US-10131670-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, P2RY2, P2RX5 NOTUM 3428/4885ESRRA 2508/4885GRM1 1450/4885
US-20180170938-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 NOTUM 3428/4885ESRRA 2508/4885GRM1 1450/4885
US-20190016727-A1 BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS CFTR, P2RY2, P2RX5 NOTUM 3428/4885ESRRA 2508/4885GRM1 1450/4885
US-10766904-B2 Bicyclic heteroaryl derivatives as CFTR potentiators CFTR, SLC26A3, P2RY2 NOTUM 2987/4885ESRRA 1916/4885GRM1 1545/4885

“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.