SCHEMBL3513587

SCHEMBL3513587

O=C(O)c1ccc(Nc2nccc(NC(=O)c3c(Cl)cccc3Cl)n2)nc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.51
TYK2 P29597 7/20 0.51
AURKA O14965 7/20 0.51
HCAR3 P49019 2/20 0.48
AURKB Q96GD4 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GCK P35557 1/20 0.45
JAK1 P23458 3/20 0.45

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
SCHEMBL3516179 0.86 AURKA (0.68) JAK2TYK2AURKAAURKBNPC1
SCHEMBL3514991 0.85 JAK2 (0.49) JAK2TYK2AURKAAURKBNPC1
SCHEMBL5236720 0.84 HCAR3 (0.66) JAK2TYK2HCAR3NPC1RAB9A
SCHEMBL3514123 0.82 TYK2 (0.65) JAK2TYK2AURKAAURKBNPC1
SCHEMBL3515487 0.82 AURKA (0.71) JAK2TYK2AURKAAURKBNPC1
SCHEMBL3515247 0.81 JAK2 (0.64) JAK2TYK2AURKAAURKBNPC1
SCHEMBL12987231 0.80 TYK2 (0.71) JAK2TYK2JAK1
SCHEMBL3514479 0.80 JAK2 (0.52) JAK2TYK2HCAR3RAB9AGCK
SCHEMBL3514256 0.78 JAK2 (0.54) JAK2TYK2AURKAAURKBJAK1
SCHEMBL3513072 0.78 TYK2 (0.62) JAK2TYK2AURKAAURKBJAK1

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 JAK2 1/4885TYK2 21/4885AURKA 70/4885

“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.