SCHEMBL6415735

SCHEMBL6415735

CCC(Nc1nccc(N(C)c2nc(-c3ccccc3)cc3ncnn23)n1)c1cccc(S(=O)(=O)N(C)CCN(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 9/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ CDK2 P24941 1/20 0.32
▸ KDR P35968 3/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ IDH1 O75874 2/20 0.30

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
SCHEMBL6431694 0.89 KDR (0.40) MAPK14KDRCYP3A4CYP2D6CYP2C9
SCHEMBL6415740 0.87 KDR (0.33) MAPK14MAPK13MAPK12MAPK11CDK2
SCHEMBL6415743 0.82 KDR (0.33) CDK2KDRCYP3A4CYP2D6CYP2C9
SCHEMBL6431698 0.75 KDR (0.41) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6431700 0.71 KDR (0.40) CDK2KDRCYP3A4CYP2D6CYP2C9
SCHEMBL5310133 0.71 EPHB4 (0.38) MAPK14KDR
SCHEMBL6417723 0.71 CFD (0.34) MAPK14MAPK13MAPK12MAPK11KDR
SCHEMBL5315338 0.71 EPHB4 (0.38) MAPK14KDR
SCHEMBL6416705 0.70 BPTF (0.38) CYP3A4CYP2C9CYP2C19
SCHEMBL6419066 0.68 KDM4E (0.38) MAPK14MAPK13MAPK12MAPK11

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-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 — — US claimed
US-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 — — 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-20050288502-A1 Substituted heterocyclic compounds and methods of use MYLK2, IAPP, MAPT MAPK14 2261/4885MAPK13 1788/4885MAPK12 1183/4885

“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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