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SCHEMBL4038482

SCHEMBL4038482

Cc1cc(C)cc(Nc2nc(N)n(-c3nc(C)cs3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.44
▸ ZAP70 P43403 3/20 0.44
▸ SYK P43405 3/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ FLT3 P36888 8/20 0.39
▸ KDR P35968 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ AXL P30530 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KIT P10721 3/20 0.34
▸ AURKA O14965 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NOS1 P29475 1/20 0.33

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
SCHEMBL4038683 0.83 FLT3 (0.61) FLT3AXLSMN1; SMN2GAAKIT
SCHEMBL4046887 0.81 SRC (0.47) SRCZAP70SYKCDK2FLT3
SCHEMBL4041768 0.78 SRC (0.46) SRCZAP70SYKCDK2FLT3
SCHEMBL4038868 0.74 BACE1 (0.56) FLT3MAPTAXLRAB9ASMN1; SMN2
SCHEMBL12780926 0.69 FLT3 (0.58) FLT3KDRAXLSMN1; SMN2KIT
SCHEMBL12780909 0.67 FLT3 (0.56) SRCFLT3KDRAXLSMN1; SMN2
SCHEMBL12780930 0.65 BACE1 (0.54) FLT3MAPTAXLRAB9ASMN1; SMN2
SCHEMBL4043372 0.65 ZAP70 (0.50) SRCZAP70SYKCDK2FLT3
SCHEMBL4038405 0.64 AXL (0.64) FLT3AXLSMN1; SMN2GAAKIT
SCHEMBL4038844 0.64 FLT3 (0.43) SRCZAP70SYKCDK2FLT3

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 9 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
EP-2010553-A1 SUBSTITUTED ADENINES AND THE USES THEREOF AstraZeneca AB (SE) 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
WO-2007113538-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2007-10-11 — — WO 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.