SCHEMBL3515487

SCHEMBL3515487

O=C(O)c1cccc(Nc2nccc(NC(=O)c3c(Cl)cccc3Cl)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.71
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
JAK2 O60674 5/20 0.58
TYK2 P29597 3/20 0.58
ABL1 P00519 1/20 0.54
BCR P11274 1/20 0.54
PRKCA P17252 1/20 0.54
AURKB Q96GD4 2/20 0.53
RHOA P61586 1/20 0.51
CAMK2D Q13557 1/20 0.50

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 0.89 AURKA (0.68) AURKANPC1RAB9AJAK2TYK2
SCHEMBL3515247 0.88 JAK2 (0.64) AURKANPC1RAB9AJAK2TYK2
SCHEMBL3514256 0.83 JAK2 (0.54) AURKAJAK2TYK2AURKB
SCHEMBL3513072 0.82 TYK2 (0.62) AURKAJAK2TYK2AURKB
SCHEMBL3513587 0.82 JAK2 (0.51) AURKANPC1RAB9AJAK2TYK2
SCHEMBL3512434 0.78 JAK2 (0.54) AURKAJAK2TYK2AURKB
SCHEMBL3514123 0.78 TYK2 (0.65) AURKANPC1RAB9AJAK2TYK2
Hydrochloric Acid SCHEMBL2103616 0.76 NPC1 (0.61) NPC1RAB9AJAK2TYK2
SCHEMBL3515174 0.76 PDPK1 (0.52) AURKANPC1RAB9AJAK2TYK2
SCHEMBL14292694 0.76 NPC1 (0.75) AURKANPC1RAB9AJAK2TYK2

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 AURKA 70/4885NPC1 2620/4885RAB9A 2583/4885

“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.