SCHEMBL10044657

SCHEMBL10044657

COc1ccc(-c2nccc(NC(C)(C)C(=O)NCC(F)(F)F)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.44
PLK4 O00444 1/20 0.44
JAK2 O60674 1/20 0.44
STK10 O94804 1/20 0.44
ABL1 P00519 1/20 0.44
PRKCB P05771 1/20 0.44
MET P08581 1/20 0.44
TOP2A P11388 1/20 0.44
PRKCA P17252 1/20 0.44
CSNK2A2 P19784 1/20 0.44
JAK1 P23458 1/20 0.44
MARK3 P27448 1/20 0.44
TYK2 P29597 1/20 0.44
ABL2 P42684 1/20 0.44
CDK9 P50750 1/20 0.44
JAK3 P52333 1/20 0.44
CDK17 Q00537 1/20 0.44
TOP2B Q02880 1/20 0.44
PRKCD Q05655 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL10044781 0.87 CLK4 (0.50) ROCK2PLK4JAK2STK10ABL1
SCHEMBL10044647 0.84 GABRA5 (0.41) KDRFGFR3MKNK1MKNK2GABRA5
SCHEMBL10044767 0.84 ROCK2 (0.47) ROCK2PLK4JAK2STK10ABL1
SCHEMBL10072092 0.80 KDR (0.39) ROCK2ROCK1KDRFGFR3MKNK1
SCHEMBL10044785 0.80 ROCK2 (0.44) ROCK2PLK4JAK2STK10ABL1
SCHEMBL10044670 0.79 JAK3 (0.50) ROCK2PLK4JAK2STK10ABL1
SCHEMBL10044685 0.78 JAK3 (0.51) ROCK2PLK4JAK2STK10ABL1
SCHEMBL10044684 0.77 CLK4 (0.51) CYP1A2CYP3A4CYP2C19
SCHEMBL10044783 0.76 ROCK2 (0.42) ROCK2PLK4JAK2STK10ABL1
SCHEMBL10044736 0.76 ROCK2 (0.49) ROCK2PLK4JAK2STK10ABL1

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-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 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 (3 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-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 ROCK2 244/4885PLK4 432/4885JAK2 1/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 ROCK2 244/4885PLK4 432/4885JAK2 1/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 ROCK2 244/4885PLK4 432/4885JAK2 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.