SCHEMBL3619953

SCHEMBL3619953

Cc1cnc(Nc2ccc3ncsc3c2)nc1-c1cccc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.47
CDK1 P06493 1/20 0.47
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
SYK P43405 1/20 0.42
TOP2A P11388 1/20 0.40
TGFBR1 P36897 1/20 0.40
IKBKB O14920 3/20 0.39
INSR P06213 1/20 0.39
CSF1R P07333 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
TEK Q02763 1/20 0.39
DYRK2 Q92630 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
PRKD1 Q15139 1/20 0.38
PLK1 P53350 1/20 0.38
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL3617951 0.80 CDK1 (0.54) KDRCDK1JAK2JAK1CDK7
SCHEMBL3620720 0.80 JAK1 (0.49) KDRCDK1JAK2JAK1CDK7
SCHEMBL3620405 0.77 CDK1 (0.55) KDRCDK1JAK2JAK1CDK7
SCHEMBL3607870 0.77 JAK1 (0.50) KDRCDK1JAK2JAK1CDK7
SCHEMBL3618079 0.76 SYK (0.49) KDRCDK1JAK2JAK1CDK7
SCHEMBL3621482 0.75 ABL1 (0.48) KDRCDK1JAK2JAK1CDK7
SCHEMBL3615782 0.73 CDK1 (0.49) KDRCDK1JAK2JAK1CDK7
SCHEMBL2918561 0.72 SYK (0.51) KDRCDK1SYKTOP2ATGFBR1
SCHEMBL3622052 0.68 CDK2 (0.54) KDRCDK1JAK2JAK1CDK7
SCHEMBL3621559 0.68 CDK2 (0.54) KDRCDK1JAK2JAK1CDK7

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 KDR 3785/4885CDK1 3769/4885JAK2 3385/4885

“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.