SCHEMBL5090337

SCHEMBL5090337

Cc1ccc2c(cnn2-c2ccnc(S(C)(=O)=O)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CCNT1 O60563 2/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CDK9 P50750 2/20 0.38
ROCK1 Q13464 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
NR3C1 P04150 4/20 0.38
KDR P35968 1/20 0.37
IRAK4 Q9NWZ3 4/20 0.37
SLC22A12 Q96S37 1/20 0.35
MAPK1 P28482 1/20 0.34
DPP4 P27487 1/20 0.34
SMO Q99835 1/20 0.34

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
SCHEMBL5102689 0.90 IRAK4 (0.44) CCNT1CDK1CCNB1CDK9CDK7
SCHEMBL30459760 0.84 CYP11B1 (0.43) CYP11B1CYP11B2CCNT1CDK1CCNB1
SCHEMBL17683145 0.84 CYP11B1 (0.43) CYP11B1CYP11B2CCNT1CDK1CCNB1
SCHEMBL3823223 0.83 CDK1 (0.53) CYP11B1CYP11B2CCNT1CDK1CCNB1
SCHEMBL30459679 0.82 NR3C1 (0.42) CYP11B1CYP11B2CCNT1CDK1CCNB1
SCHEMBL17683115 0.82 LRRK2 (0.40) CCNT1CDK1CCNB1CDK9CDK7
SCHEMBL17683288 0.82 NR3C1 (0.42) CYP11B1CYP11B2CCNT1CDK1CCNB1
SCHEMBL17683358 0.79 CYP11B1 (0.43) CYP11B1CYP11B2ROCK1NR3C1KDR
SCHEMBL5096332 0.76 ROCK1 (0.42) CYP11B1CYP11B2CCNT1CDK1CCNB1
SCHEMBL7022991 0.74 LCK (0.52) ROCK1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399462-B2 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain ROCHE PALO ALTO LLC (US) 2013-03-19 US disclosed
US-20080146565-A1 JNK modulators ROCHE PALO ALTO LLC 2008-06-19 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-20080146565-A1 JNK modulators MAPKAPK2, MAPKAPK3, MAP3K10 CYP11B1 663/4885CYP11B2 967/4885CCNT1 1924/4885

“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.