SCHEMBL30579142

SCHEMBL30579142

NC1CC=C(c2cnc3ccc(-c4c[nH]nc4-c4cc(Cl)ccc4F)nc3c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SSTR2 P30874 1/20 0.34
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ ERN1 O75460 3/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ KDR P35968 1/20 0.31

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
SCHEMBL22074898 1.00 SSTR2 (0.34) SSTR2CCNT1CDK9ERN1FGFR3
SCHEMBL30579175 0.89 CCNT1 (0.33) CCNT1CDK9ERN1
SCHEMBL22075307 0.89 CCNT1 (0.33) CCNT1CDK9ERN1
SCHEMBL22074867 0.87 SLC6A4 (0.42) FGFR3KDR
SCHEMBL30579106 0.87 SLC6A4 (0.42) FGFR3KDR
SCHEMBL22075164 0.83 FGFR3 (0.33) FGFR3KDR
SCHEMBL25084761 0.81 TGFBR1 (0.38) CCNT1CDK9ERN1KDR
SCHEMBL30155961 0.81 TGFBR1 (0.38) CCNT1CDK9ERN1KDR
SCHEMBL22074936 0.80 SSTR2 (0.36) SSTR2CCNT1FGFR3KDR
SCHEMBL30579154 0.80 SSTR2 (0.36) SSTR2CCNT1FGFR3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 — — 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-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 SSTR2 1373/4885CCNT1 4564/4885CDK9 1029/4885

“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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