SCHEMBL3512658

SCHEMBL3512658

O=C(Nc1ccnc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 16/20 0.59
JAK2 O60674 14/20 0.59
JAK1 P23458 8/20 0.59
KDM4E B2RXH2 1/20 0.56
RAB9A P51151 1/20 0.56
EGFR P00533 2/20 0.52
CDK9 P50750 3/20 0.52
JAK3 P52333 1/20 0.52
CCNT1 O60563 2/20 0.50
CDK2 P24941 1/20 0.49
KDR P35968 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
SCHEMBL3512507 0.90 TYK2 (0.64) TYK2JAK2JAK1RAB9AEGFR
SCHEMBL3515692 0.89 TYK2 (0.59) TYK2JAK2JAK1EGFRCDK9
SCHEMBL3513750 0.87 KDM4E (0.58) TYK2JAK2JAK1KDM4ERAB9A
SCHEMBL3515483 0.86 TYK2 (0.56) TYK2JAK2JAK1EGFRCDK9
SCHEMBL3512757 0.86 TYK2 (0.61) TYK2JAK2JAK1EGFRCDK9
SCHEMBL3516473 0.85 TYK2 (0.55) TYK2JAK2JAK1EGFR
SCHEMBL3513073 0.85 TYK2 (0.61) TYK2JAK2JAK1EGFRCDK9
SCHEMBL3514407 0.84 TYK2 (0.60) TYK2JAK2JAK1EGFRCDK9
SCHEMBL3514607 0.83 TYK2 (0.66) TYK2JAK2JAK1EGFRCDK9
SCHEMBL12987231 0.82 TYK2 (0.71) TYK2JAK2JAK1CDK9JAK3

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 TYK2 21/4885JAK2 1/4885JAK1 2/4885

“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.