SCHEMBL3513624

SCHEMBL3513624

CC1CN(c2nc(Nc3cc(NC(=O)c4c(Cl)cccc4Cl)ccn3)cc(C(C)C)n2)CC(C)O1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.56
TYK2 P29597 18/20 0.55
JAK2 O60674 14/20 0.55
CDK2 P24941 1/20 0.55
KDR P35968 1/20 0.55
JAK1 P23458 10/20 0.52
CDK9 P50750 1/20 0.49
JAK3 P52333 1/20 0.49

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
SCHEMBL3515091 0.91 EGFR (0.63) EGFRTYK2JAK2CDK2KDR
SCHEMBL3515573 0.89 EGFR (0.59) EGFRTYK2JAK2CDK2KDR
SCHEMBL3519249 0.87 EGFR (0.63) EGFRTYK2JAK2CDK2KDR
SCHEMBL3515083 0.87 EGFR (0.63) EGFRTYK2JAK2CDK2KDR
SCHEMBL3515530 0.87 EGFR (0.56) EGFRTYK2JAK2CDK2KDR
SCHEMBL12989940 0.87 EGFR (0.60) EGFRTYK2JAK2CDK2KDR
SCHEMBL3513667 0.86 EGFR (0.55) EGFRTYK2JAK2CDK2KDR
SCHEMBL3516555 0.86 EGFR (0.69) EGFRTYK2JAK2CDK2KDR
SCHEMBL3516553 0.86 EGFR (0.69) EGFRTYK2JAK2CDK2KDR
SCHEMBL3517139 0.86 EGFR (0.77) EGFRTYK2JAK2CDK2KDR

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 7 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
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
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
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 EGFR 212/4885TYK2 21/4885JAK2 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.