SCHEMBL24095386

SCHEMBL24095386

Cc1cccc(-n2nccc2Oc2ccnc(Nc3cccc(C#N)c3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 8/20 0.49
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ SLC2A1 P11166 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ TNIK Q9UKE5 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GRM5 P41594 2/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MAPK10 P53779 1/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ PTGS2 P35354 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
SCHEMBL24298509 0.89 TGFBR1 (0.49) TGFBR1ABCG2SLC2A1NPC1RAB9A
SCHEMBL24095419 0.85 TGFBR1 (0.46) TGFBR1ABCG2SLC2A1NPC1RAB9A
SCHEMBL24095459 0.82 TGFBR1 (0.47) TGFBR1ABCG2SLC2A1KCNH2TNIK
SCHEMBL24095388 0.82 ROCK1 (0.46) —
SCHEMBL24095428 0.80 TGFBR1 (0.43) TGFBR1ABCG2SLC2A1KCNH2TNIK
SCHEMBL24095518 0.80 TGFBR1 (0.43) TGFBR1ABCG2SLC2A1KCNH2TNIK
SCHEMBL3955188 0.77 TGFBR1 (0.61) TGFBR1ABCG2SLC2A1CDK4CDK2
SCHEMBL24095449 0.76 TGFBR1 (0.49) TGFBR1ABCG2SLC2A1GRM5MAPK10
SCHEMBL24095394 0.74 IRAK4 (0.38) TGFBR1GRM5
SCHEMBL24095454 0.73 TGFBR1 (0.78) TGFBR1KCNH2TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220098171-A1 5-(4-PYRIDYLOXY)PYRAZOLE COMPOUNDS SERVING AS TGF-ßR1 KINASE INHIBITOR JIANGSU AOSAIKANG PHARMACEUTICAL CO., LTD. (CN) 2022-03-31 — — US disclosed
EP-3922631-A1 5-(4-PYRIDYLOXY)PYRAZOLE COMPOUNDS SERVING AS TGF-BETA R1 KINASE INHIBITOR Jiangsu AoSaiKang Pharmaceutical Co., Ltd. (CN) 2021-12-15 — — EP 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-20220098171-A1 5-(4-PYRIDYLOXY)PYRAZOLE COMPOUNDS SERVING AS TGF-ßR1 KINASE INHIBITOR TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885ABCG2 1686/4885SLC2A1 3222/4885

“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.

Send feedback