Sugi Predict

Sugi Predict / Compounds / SCHEMBL4038860

SCHEMBL4038860

SCHEMBL4038860

COc1cc(Nc2nc(N)nn2-c2nccs2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 7/20 0.52
▸ ZAP70 P43403 7/20 0.52
▸ SYK P43405 7/20 0.52
▸ CDK2 P24941 4/20 0.41
▸ GSK3B P49841 4/20 0.41
▸ CDK4 P11802 2/20 0.41
▸ STK16 O75716 1/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39

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 0.90 CYP1A1 (0.46) SRCZAP70SYKCDK2GSK3B
SCHEMBL4039114 0.84 SRC (0.56) SRCZAP70SYKCDK2GSK3B
SCHEMBL12782262 0.83 SRC (0.52) SRCZAP70SYKCDK2GSK3B
SCHEMBL4036697 0.77 SRC (0.41) SRCZAP70SYKCDK2GSK3B
SCHEMBL4043372 0.72 ZAP70 (0.50) SRCZAP70SYKCDK2GSK3B
SCHEMBL4039753 0.71 ZAP70 (0.37) SRCZAP70SYKCDK2GSK3B
SCHEMBL12780127 0.67 SRC (0.56) SRCZAP70SYKCDK2GSK3B
SCHEMBL12779028 0.67 PDE7A (0.35) CDK2
SCHEMBL4038866 0.65 SRC (0.39) SRCZAP70SYKCDK2CDK4
SCHEMBL4046539 0.65 CYP1A1 (0.49) SYKCDK2GSK3BCYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 — — EP claimed
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.