SCHEMBL4042826

SCHEMBL4042826

Cc1cc(C)cc(Nc2nc(N)nn2-c2ncc(C)s2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.41
ZAP70 P43403 2/20 0.41
SYK P43405 2/20 0.41
CDK2 P24941 1/20 0.41
KDR P35968 1/20 0.33
NOS1 P29475 1/20 0.33
EGFR P00533 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CALCA P06881 1/20 0.32
MAPT P10636 1/20 0.32
TYK2 P29597 2/20 0.31
AXL P30530 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE4D Q08499 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL4039753 0.85 ZAP70 (0.37) SRCZAP70SYKCDK2AXL
SCHEMBL4036697 0.80 SRC (0.41) SRCZAP70SYKCDK2KDR
SCHEMBL4041768 0.80 SRC (0.46) SRCZAP70SYKCDK2KDR
SCHEMBL12782262 0.79 SRC (0.52) SRCZAP70SYKCDK2KDR
SCHEMBL12782555 0.68 FLT3 (0.47) ZAP70CDK2KDREGFRTYK2
SCHEMBL4038844 0.66 FLT3 (0.43) SRCZAP70SYKCDK2IRAK4
SCHEMBL12781032 0.65 FLT3 (0.60) CDK2KDRIRAK4AXL
SCHEMBL4048336 0.64 CYP1A1 (0.46) SRCZAP70SYKCDK2AXL
SCHEMBL12780625 0.61 FLT3 (0.62) KDRIRAK4AXL
SCHEMBL4046887 0.59 SRC (0.47) SRCZAP70SYKCDK2KDR

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.