SCHEMBL24095509

SCHEMBL24095509

Cc1nn(C2CCOCC2)c(Oc2ccnc(Nc3cccc(C#N)c3)c2)c1C

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 16/20 0.67
▸ MAP3K12 Q12852 2/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ TNIK Q9UKE5 1/20 0.43
▸ CNR2 P34972 1/20 0.42

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
SCHEMBL24095454 0.87 TGFBR1 (0.78) TGFBR1MAP3K12KCNH2TNIK
SCHEMBL24095521 0.84 TGFBR1 (0.64) TGFBR1MAP3K12KCNH2TNIKCNR2
SCHEMBL24095456 0.84 TGFBR1 (0.64) TGFBR1MAP3K12KCNH2TNIKCNR2
SCHEMBL24095396 0.83 TGFBR1 (0.51) TGFBR1
SCHEMBL24095463 0.82 TGFBR1 (0.75) TGFBR1MAP3K12KCNH2TNIKCNR2
SCHEMBL24095514 0.81 TGFBR1 (0.77) TGFBR1MAP3K12
SCHEMBL22851103 0.80 TGFBR1 (1.00) TGFBR1
SCHEMBL17645440 0.76 TGFBR1 (0.72) TGFBR1
SCHEMBL24095512 0.75 TGFBR1 (0.42) TGFBR1
SCHEMBL24298553 0.73 TGFBR1 (0.61) TGFBR1

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 1/4885MAP3K12 63/4885KCNH2 2688/4885

“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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