SCHEMBL24095459

SCHEMBL24095459

COc1cccc(-n2nc(C)cc2Oc2ccnc(Nc3cccc(C#N)c3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 8/20 0.47
▸ ABCG2 Q9UNQ0 3/20 0.39
▸ PLA2G2A P14555 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ TNIK Q9UKE5 2/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ SLC2A1 P11166 2/20 0.38
▸ SLC34A1 Q06495 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ MAPK10 P53779 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 0.91 TGFBR1 (0.49) TGFBR1ABCG2PLA2G2ASLC2A1MAPK10
SCHEMBL24095438 0.83 ROCK1 (0.43) TGFBR1
SCHEMBL24095449 0.82 TGFBR1 (0.49) TGFBR1ABCG2SLC2A1MAPK10
SCHEMBL24095386 0.82 TGFBR1 (0.49) TGFBR1ABCG2PLA2G2AKCNH2TNIK
SCHEMBL24095419 0.82 TGFBR1 (0.46) TGFBR1ABCG2PLA2G2ASLC2A1MAPK10
SCHEMBL24298642 0.78 MAP4K1 (0.40) TGFBR1
SCHEMBL24095451 0.76 KDM5A (0.39) TGFBR1
SCHEMBL24095454 0.74 TGFBR1 (0.78) TGFBR1KCNH2TNIK
SCHEMBL24095412 0.74 ROCK1 (0.46) TGFBR1
SCHEMBL3955188 0.73 TGFBR1 (0.61) TGFBR1ABCG2SLC2A1

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 1686/4885PLA2G2A 4508/4885

“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.

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