SCHEMBL2353205

SCHEMBL2353205

COc1cc(-c2cnn(C)c2)cn2ncc(-c3ccc(C(N)=O)cc3)c12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.55
MKNK2 Q9HBH9 2/20 0.55
MAP3K11 Q16584 1/20 0.47
RET P07949 11/20 0.47
CHEK1 O14757 2/20 0.46
CHEK2 O96017 2/20 0.46
MAPKAPK2 P49137 2/20 0.45
PLAU P00749 1/20 0.43
GAK O14976 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
SCHEMBL13509615 0.85 GAK (0.44) RETGAK
SCHEMBL12461828 0.85 ACVR2A (0.48) RET
SCHEMBL12461799 0.84 RET (0.48) RETGAK
SCHEMBL12461830 0.84 ERN1 (0.47) RETGAK
SCHEMBL12461821 0.83 RET (0.48) RET
SCHEMBL12461307 0.83 ERN1 (0.48) RETGAK
SCHEMBL2288882 0.82 MARK3 (0.49) MKNK1MKNK2RETCHEK1CHEK2
SCHEMBL1903502 0.82 KDR (0.50) RETGAK
SCHEMBL1903169 0.82 MKNK1 (0.48) MKNK1MKNK2RETPLAU
SCHEMBL12461272 0.81 RET (0.49) RETGAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US claimed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US claimed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 WO 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 MKNK1 46/4885MKNK2 40/4885MAP3K11 98/4885

“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.