SCHEMBL4036635

SCHEMBL4036635

COc1cccc(Nc2nc(N)n(-c3ncc(C)s3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.45
USP2 O75604 3/20 0.45
CYP1A2 P05177 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
FLT3 P36888 5/20 0.45
SYK P43405 1/20 0.45
EGFR P00533 1/20 0.45
AURKA O14965 1/20 0.44
JAK2 O60674 1/20 0.44
KIT P10721 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
ROCK1 Q13464 1/20 0.44
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43

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
SCHEMBL4038844 0.89 FLT3 (0.43) FLT3SYKAURKAJAK2KIT
SCHEMBL4047065 0.87 BACE1 (0.44) PLK1FLT3SYKEGFRAURKA
SCHEMBL12780625 0.84 FLT3 (0.62) PLK1FLT3AURKAJAK2KIT
SCHEMBL4046539 0.82 CYP1A1 (0.49) CYP1A2FLT3SYKEGFRAURKA
SCHEMBL12780127 0.82 SRC (0.56) CLK4CYP3A4FLT3SYKAURKA
SCHEMBL12781046 0.81 JAK1 (0.51) FLT3SYKEGFRJAK2CCNA2
SCHEMBL4036648 0.81 FLT3 (0.62) FLT3EGFRAURKAJAK2KIT
SCHEMBL12781032 0.81 FLT3 (0.60) PLK1FLT3AURKAJAK2KIT
SCHEMBL12780844 0.80 BACE1 (0.56) FLT3AURKAJAK2KITIRAK4
SCHEMBL4041768 0.79 SRC (0.46) FLT3SYKAURKAJAK2KIT

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-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO 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 PLK1 40/4885USP2 2267/4885CYP1A2 3941/4885

“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.