SCHEMBL3516173

SCHEMBL3516173

Nc1ccc(Cl)c(C(=O)Nc2ccncc2)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 6/20 0.69
TYK2 P29597 11/20 0.65
JAK2 O60674 9/20 0.65
CYP3A4 P08684 2/20 0.65
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
NT5E P21589 1/20 0.50
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.49
NOD2 Q9HC29 1/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PRKCI P41743 1/20 0.48

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
SCHEMBL3514445 0.87 TYK2 (0.73) JAK1TYK2JAK2CYP3A4KMT2A
SCHEMBL19442273 0.84 JAK1 (0.52) JAK1TYK2JAK2CYP3A4KMT2A
SCHEMBL30739627 0.82 CYP1A2 (0.48) JAK1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL20051590 0.82 HDAC1 (0.47) JAK1TYK2JAK2CYP3A4KMT2A
SCHEMBL20050365 0.82 CYP1A2 (0.48) JAK1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL3515171 0.82 JAK1 (1.00) JAK1TYK2JAK2CYP3A4KMT2A
SCHEMBL22081757 0.80 FADS1 (0.55) JAK1TYK2JAK2KMT2AMEN1
SCHEMBL3513005 0.78 TYK2 (0.60) JAK1TYK2JAK2CYP3A4KMT2A
SCHEMBL3514356 0.78 TYK2 (0.69) JAK1TYK2JAK2CYP3A4KMT2A
SCHEMBL3515462 0.77 TYK2 (0.58) JAK1TYK2JAK2CYP3A4KMT2A

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 6 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
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 JAK1 2/4885TYK2 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.