Sugi Predict

Sugi Predict / Compounds / SCHEMBL4048336

SCHEMBL4048336

SCHEMBL4048336

COc1cc(Nc2nc(N)nn2-c2nccs2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP1B1 Q16678 2/20 0.46
▸ ZAP70 P43403 3/20 0.45
▸ SYK P43405 3/20 0.45
▸ SRC P12931 2/20 0.45
▸ BRAF P15056 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ KARS1 Q15046 1/20 0.36
▸ PIK3C2B O00750 1/20 0.35
▸ PIK3C2G O75747 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ MAP3K14 Q99558 3/20 0.35
▸ PKD2 Q13563 1/20 0.35
▸ CDK2 P24941 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL4038860 0.90 SRC (0.52) CYP1A1CYP1A2CYP1B1ZAP70SYK
SCHEMBL4036697 0.84 SRC (0.41) ZAP70SYKSRCPTK2CDK2
SCHEMBL4043372 0.81 ZAP70 (0.50) CYP1A1CYP1A2CYP1B1ZAP70SYK
SCHEMBL4039753 0.80 ZAP70 (0.37) CYP1A1CYP1A2CYP1B1ZAP70SYK
SCHEMBL12779028 0.73 PDE7A (0.35) CDK2TDP1TSHR
SCHEMBL4039114 0.72 SRC (0.56) CYP1A1CYP1A2CYP1B1ZAP70SYK
SCHEMBL12782262 0.71 SRC (0.52) ZAP70SYKSRCBRAFCDK2
SCHEMBL4046539 0.70 CYP1A1 (0.49) CYP1A1CYP1A2CYP1B1SYKNPC1
SCHEMBL4037206 0.69 FLT3 (0.46) NPC1RAB9ASMN1; SMN2MAPK1LMNA
SCHEMBL4043844 0.65 FLT3 (0.49) BRAFNPC1RAB9ASMN1; SMN2MAPK1

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 CYP1A1 4281/4885CYP1A2 3941/4885CYP1B1 3773/4885

“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.