SCHEMBL3515073

SCHEMBL3515073

Cc1cc(Nc2cc(NC(=O)c3c(Cl)cc(CNCC4CC4)cc3Cl)ccn2)nc(C)n1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 18/20 0.55
EGFR P00533 3/20 0.51
JAK2 O60674 4/20 0.51
JAK1 P23458 2/20 0.46
CDK9 P50750 1/20 0.46
JAK3 P52333 1/20 0.46
CDK2 P24941 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL3515082 0.89 EGFR (0.54) TYK2EGFRJAK2JAK1
SCHEMBL3514216 0.89 TYK2 (0.56) TYK2EGFRJAK2JAK1CDK9
SCHEMBL3512664 0.88 EGFR (0.55) TYK2EGFRJAK2JAK1CDK9
SCHEMBL3516334 0.88 EGFR (0.55) TYK2EGFRJAK2JAK1
SCHEMBL13043669 0.88 EGFR (0.53) TYK2EGFRJAK2JAK1
SCHEMBL3514949 0.87 TYK2 (0.63) TYK2EGFRJAK2JAK1
SCHEMBL3514346 0.87 TYK2 (0.49) TYK2EGFRJAK2JAK1CDK9
SCHEMBL3514089 0.86 EGFR (0.53) TYK2EGFRJAK2JAK1CDK9
SCHEMBL3513079 0.86 TYK2 (0.51) TYK2EGFRJAK2CDK2KDR
SCHEMBL3514091 0.86 TYK2 (0.49) TYK2EGFRJAK2JAK1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TYK2 21/4885EGFR 212/4885JAK2 1/4885

“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.