SCHEMBL12461301

SCHEMBL12461301

COc1cc(-c2cnn(C)c2)cn2ncc(-c3ccnc(Cl)c3)c12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 5/20 0.53
TGFBR2 P37173 4/20 0.48
RET P07949 11/20 0.45
TTK P33981 1/20 0.43

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
SCHEMBL12461830 0.85 ERN1 (0.47) ACVR2ATGFBR2RETTTK
SCHEMBL12461828 0.84 ACVR2A (0.48) ACVR2ATGFBR2RET
SCHEMBL12461307 0.83 ERN1 (0.48) ACVR2ATGFBR2RET
SCHEMBL1903502 0.83 KDR (0.50) ACVR2ATGFBR2RETTTK
SCHEMBL1907617 0.81 RET (0.41) RETTTK
SCHEMBL12461297 0.81 ACVR2A (0.45) ACVR2ATGFBR2RET
SCHEMBL12461799 0.81 RET (0.48) RET
SCHEMBL12461272 0.80 RET (0.49) RET
SCHEMBL12461614 0.80 RET (0.56) ACVR2ARET
SCHEMBL12461791 0.80 KDR (0.49) ACVR2ARET

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-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 ACVR2A 3340/4885TGFBR2 2971/4885RET 79/4885

“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.