SCHEMBL3637109

SCHEMBL3637109

Cc1cc(N)nc(Cl)c1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 8/20 0.41
NOS2 P35228 8/20 0.41
NOS1 P29475 7/20 0.41
BACE1 P56817 2/20 0.41
PRMT5 O14744 1/20 0.37
CD44 P16070 1/20 0.36
PDE10A Q9Y233 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL21287270 0.81 NOS3 (0.41) NOS3NOS2NOS1BACE1PRMT5
SCHEMBL21223482 0.77 NOS3 (0.38) NOS3NOS2NOS1BACE1PRMT5
SCHEMBL22029192 0.77 NOS3 (0.38) NOS3NOS2NOS1BACE1PRMT5
SCHEMBL30915338 0.77 NOS3 (0.38) NOS3NOS2NOS1BACE1PRMT5
SCHEMBL10411734 0.75 SMN1; SMN2 (0.54) PDE10APOLBALDH1A1GAA
SCHEMBL3673476 0.75 NOS2 (0.48) NOS3NOS2NOS1BACE1PRMT5
SCHEMBL31396216 0.75 ALDH1A1 (0.39) PDE10APOLBCYP3A4ALDH1A1
SCHEMBL11985859 0.75 ALDH1A1 (0.39) PDE10APOLBCYP3A4ALDH1A1
SCHEMBL4646183 0.75 NOS2 (0.43) NOS3NOS2NOS1BACE1PRMT5
SCHEMBL22063663 0.74 NOS2 (0.42) NOS3NOS2NOS1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044667-A2 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-02-29 WO disclosed
US-20230373939-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-23 US disclosed
US-20230373939-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-23 US disclosed
US-20230373939-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-23 US disclosed
EP-4225737-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076628-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
EP-2789606-B1 Modulators of CFTR VERTEX PHARMA (US) 2017-11-15 EP disclosed
EP-2789606-B1 Modulators of CFTR VERTEX PHARMA (US) 2017-11-15 EP disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 US disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 US disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
EP-2789606-A1 Modulators of CFTR Vertex Pharmaceuticals Incorporated (US) 2014-10-15 EP disclosed
EP-2789606-A1 Modulators of CFTR Vertex Pharmaceuticals Incorporated (US) 2014-10-15 EP disclosed
CN-102863432-A Modulators of cftr VERTEX PHARMA 2013-01-09 CN disclosed
CN-101687842-A modulators of cftr VERTEX PHARMA 2010-03-31 CN disclosed
EP-2164840-A2 MODULATORS OF CFTR Vertex Pharmaceuticals Incorporated (US) 2010-03-24 EP disclosed
WO-2008141119-A2 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-20 WO disclosed
WO-2008141119-A2 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-20 WO 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 (2 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-20150031708-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 NOS3 4373/4885NOS2 4597/4885NOS1 4565/4885
US-20230373939-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B NOS3 4316/4885NOS2 4519/4885NOS1 4381/4885

“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.