SCHEMBL3514969

SCHEMBL3514969

N#Cc1cc(F)c(C(=O)Nc2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 20/20 1.00
JAK2 O60674 2/20 1.00
JAK1 P23458 1/20 0.51
CDK9 P50750 1/20 0.51
JAK3 P52333 1/20 0.51

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
SCHEMBL25481891 1.00 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3513057 1.00 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL12989155 0.94 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3514264 0.94 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3548010 0.94 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3513279 0.94 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3546445 0.94 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL12988808 0.89 TYK2 (0.86) TYK2JAK2JAK1CDK9JAK3
SCHEMBL13034582 0.89 TYK2 (0.80) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3524775 0.83 TYK2 (0.72) TYK2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147873-A1 METHODS OF TREATING CANCER AND INHIBITING TYK2 AND MEK WASHINGTON UNIVERSITY (US) 2023-05-11 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
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 (2 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 21/4885JAK2 1/4885JAK1 2/4885
US-20230147873-A1 METHODS OF TREATING CANCER AND INHIBITING TYK2 AND MEK MAP3K2, MAP3K1, MAPKAPK2 TYK2 17/4885JAK2 44/4885JAK1 95/4885

“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.