SCHEMBL4036697

SCHEMBL4036697

Cc1cc(C)cc(Nc2nc(N)nn2-c2nccs2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.41
ZAP70 P43403 6/20 0.41
SYK P43405 6/20 0.41
HTT P42858 1/20 0.40
KDR P35968 3/20 0.35
CDK2 P24941 6/20 0.33
CCNA2 P20248 1/20 0.32
CCNO P22674 1/20 0.32
CCNE1 P24864 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
PTK2 Q05397 1/20 0.32
PKM P14618 1/20 0.32
CALCA P06881 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CDK4 P11802 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL4048336 0.84 CYP1A1 (0.46) SRCZAP70SYKCDK2PTK2
SCHEMBL4042826 0.80 SRC (0.41) SRCZAP70SYKKDRCDK2
SCHEMBL4046887 0.80 SRC (0.47) SRCZAP70SYKHTTKDR
SCHEMBL4038860 0.77 SRC (0.52) SRCZAP70SYKKDRCDK2
SCHEMBL12779028 0.76 PDE7A (0.35) CDK2CCNA2CCNOCCNE1CCNA1
SCHEMBL16119591 0.66 PLA2G7 (0.54) SRCZAP70SYKHTTCDK2
SCHEMBL4039753 0.66 ZAP70 (0.37) SRCZAP70SYKCDK2SMN1; SMN2
SCHEMBL4043372 0.64 ZAP70 (0.50) SRCZAP70SYKCDK2PTK2
SCHEMBL16657343 0.61 RAPGEF4 (0.50) SRCZAP70SYKKDRCDK2
SCHEMBL4038482 0.60 SRC (0.44) SRCZAP70SYKKDRCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 SRC 308/4885ZAP70 515/4885SYK 782/4885

“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.