SCHEMBL3607870

SCHEMBL3607870

Cc1cnc(Nc2cccc(S(C)(=O)=O)c2)nc1-c1cccc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 6/20 0.50
JAK3 P52333 5/20 0.50
EPHB4 P54760 3/20 0.48
CDK1 P06493 3/20 0.47
KDR P35968 2/20 0.47
CDK9 P50750 3/20 0.46
CDK7 P50613 3/20 0.46
CCNH P51946 3/20 0.46
CCNT1 O60563 2/20 0.46
CCNB1 P14635 2/20 0.46
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
CCNA1 P78396 1/20 0.46
JAK2 O60674 1/20 0.46
ACVR1 Q04771 3/20 0.45
AURKA O14965 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
MET P08581 1/20 0.45

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
SCHEMBL3620405 0.92 CDK1 (0.55) JAK1JAK3CDK1KDRCDK9
SCHEMBL3615782 0.84 CDK1 (0.49) JAK1JAK3CDK1KDRCDK9
SCHEMBL3617951 0.84 CDK1 (0.54) JAK1JAK3CDK1KDRCDK7
SCHEMBL3621559 0.83 CDK2 (0.54) JAK1JAK3CDK1KDRCDK9
SCHEMBL3622052 0.83 CDK2 (0.54) JAK1JAK3CDK1KDRCDK9
SCHEMBL3620128 0.82 CDK9 (0.64) JAK3EPHB4CDK1KDRCDK9
SCHEMBL3618079 0.82 SYK (0.49) JAK1CDK1KDRCDK7CCNH
SCHEMBL3620720 0.81 JAK1 (0.49) JAK1JAK3CDK1KDRCDK9
SCHEMBL3614657 0.81 AURKA (0.48) JAK1JAK3CDK1KDRCDK9
SCHEMBL3620659 0.81 AURKA (0.48) JAK1JAK3CDK1KDRCDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
WO-2008079918-A1 INDOL-4-YL-PYRIMIDINYL-2-YL-AMINE DERIVATIVES AND USE THEREOF AS CYCLIN DEPENDANT KINASE INHIBITORS NOVARTIS AG (CH) 2008-07-03 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 (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-20100093776-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 JAK1 3835/4885JAK3 3300/4885EPHB4 3082/4885

“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.