SCHEMBL4724002

SCHEMBL4724002

Cn1ncc(-c2ccncc2)c1-c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.53
MAPK3 P27361 1/20 0.53
MAPK1 P28482 1/20 0.53
PDE10A Q9Y233 17/20 0.49
RPS6KA3 P51812 1/20 0.49
PDE4B Q07343 6/20 0.48
PDE4A P27815 5/20 0.48
PDE3B Q13370 4/20 0.48
PDE3A Q14432 4/20 0.48

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
SCHEMBL15745980 0.80 BRAF (0.47) BRAFMAPK3MAPK1PDE10APDE4B
SCHEMBL3272752 0.75 MAPK14 (0.43) BRAFMAPK1RPS6KA3
SCHEMBL21051439 0.75 NPC1 (0.42) RPS6KA3
SCHEMBL8119242 0.73 PRMT5 (0.48) BRAFMAPK3MAPK1PDE10APDE4B
SCHEMBL10508644 0.72 HIF1A (0.53) MAPK1PDE10APDE4BPDE4APDE3B
SCHEMBL1758462 0.72 SMN1; SMN2 (0.39) PDE10ARPS6KA3PDE4BPDE4APDE3B
SCHEMBL5449991 0.72 KDR (0.52) BRAFMAPK3MAPK1PDE10APDE4B
SCHEMBL4137079 0.72 BRAF (0.42) BRAFMAPK3MAPK1PDE10APDE4B
SCHEMBL21051395 0.71 ESR1 (0.40) MAPK1
SCHEMBL1960709 0.71 MAPT (0.65) RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117751107-A Organic pyridine-pyrazole compounds and uses thereof 博善人工智能剑桥有限公司 2024-03-22 CN disclosed
WO-2023007184-A1 ORGANIC PYRIDINE-PYRAZOLE COMPOUNDS AND THEIR USES Benevolentai Cambridge Limited (GB) 2023-02-02 WO disclosed
EP-1979343-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS Pfizer Products Inc. (US) 2008-10-15 EP disclosed
WO-2007077490-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-07-12 WO disclosed
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 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 (1 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-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE10A, PDE7A BRAF 1849/4885MAPK3 1396/4885MAPK1 2052/4885

“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.