SCHEMBL10073840

SCHEMBL10073840

O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1n[nH]c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.48
PRKACA P17612 2/20 0.48
GSK3B P49841 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
CDC7 O00311 1/20 0.48
MAP4K4 O95819 1/20 0.48
PIM1 P11309 1/20 0.48
CDK2 P24941 1/20 0.48
HIPK2 Q9H2X6 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.48
CYP19A1 P11511 1/20 0.47
NAMPT P43490 1/20 0.47
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
RPS6KB1 P23443 3/20 0.44
AURKA O14965 2/20 0.44
AURKB Q96GD4 2/20 0.44
CLK1 P49759 2/20 0.43
TRPV1 Q8NER1 2/20 0.43

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
SCHEMBL12243435 0.84 NAMPT (0.49) ROCK2NAMPTROCK1
SCHEMBL10073838 0.82 ALDH1A1 (0.49) NAMPTLMNARPS6KB1AURKAAURKB
SCHEMBL10073460 0.79 TBXA2R (0.44) CYP19A1LMNATRPV1KMT2A
SCHEMBL10073647 0.79 ALDH1A1 (0.47) NAMPTLMNAHDAC3HDAC6
SCHEMBL13473572 0.76 ALDH1A1 (0.42) NAMPTLMNAKMT2A
SCHEMBL10073644 0.76 ALDH1A1 (0.44) CYP19A1LMNAKMT2A
SCHEMBL10072937 0.75 KDM4E (0.37) LMNAKMT2A
SCHEMBL10072919 0.75 ENPP1 (0.33) LMNAKMT2A
SCHEMBL10047436 0.74 KDM4E (0.46) NAMPTLMNARPS6KB1AURKAAKR1B1
SCHEMBL10074043 0.74 ALDH1A1 (0.48) CDC7CDK2NAMPTLMNARPS6KB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-28 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-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ROCK2 309/4885PRKACA 3/4885GSK3B 237/4885

“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.