SCHEMBL10072308

SCHEMBL10072308

CC(C)[C@@H](Nc1ccnc(-c2ccc(O)cc2)n1)C(=O)NCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.36
ROCK2 O75116 2/20 0.36
PLK4 O00444 1/20 0.36
JAK2 O60674 1/20 0.36
STK10 O94804 1/20 0.36
ABL1 P00519 1/20 0.36
PRKCB P05771 1/20 0.36
MET P08581 1/20 0.36
TOP2A P11388 1/20 0.36
PRKCA P17252 1/20 0.36
CSNK2A2 P19784 1/20 0.36
JAK1 P23458 1/20 0.36
MARK3 P27448 1/20 0.36
TYK2 P29597 1/20 0.36
ABL2 P42684 1/20 0.36
CDK9 P50750 1/20 0.36
JAK3 P52333 1/20 0.36
CDK17 Q00537 1/20 0.36
TOP2B Q02880 1/20 0.36
PRKCD Q05655 1/20 0.36

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
SCHEMBL10072356 0.89 ROCK2 (0.38) ATMROCK2PLK4JAK2STK10
SCHEMBL10072529 0.89 CLK4 (0.47) MEN1KMT2ANPC1USP2CYP1A2
SCHEMBL10044786 0.86 ROCK2 (0.38) ATMROCK2PLK4JAK2STK10
SCHEMBL10072159 0.85 JAK3 (0.40) ATMROCK2PLK4JAK2STK10
SCHEMBL10072092 0.85 KDR (0.39) ROCK2ROCK1TRPV3FGFR3KDR
SCHEMBL10044653 0.83 JAK3 (0.40) ROCK2PLK4JAK2STK10ABL1
SCHEMBL10072307 0.83 ROCK2 (0.41) ROCK2MEN1KMT2ANPC1RAB9A
SCHEMBL10044760 0.83 CLK4 (0.41) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL13305844 0.83 CLK4 (0.48) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL10072527 0.81 ROCK2 (0.40) 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 5 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-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
WO-2008116139-A2 N-HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-25 WO 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 ATM 642/4885ROCK2 244/4885PLK4 432/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 ATM 642/4885ROCK2 244/4885PLK4 432/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 ATM 642/4885ROCK2 244/4885PLK4 432/4885

“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.