SCHEMBL4042908

SCHEMBL4042908

Cc1cccc(-n2nc(Nc3ccc4c(c3)OCO4)nc2N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.46
TGFBR1 P36897 1/20 0.45
FLT3 P36888 7/20 0.45
KIT P10721 5/20 0.45
AURKA O14965 1/20 0.45
JAK2 O60674 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
JUN P05412 1/20 0.44
MAPK10 P53779 1/20 0.44
OGA O60502 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
SCHEMBL12845571 0.84 LMNA (0.45) MAPTMEN1MAPK1CASP1CASP7
SCHEMBL4044007 0.83 FLT3 (0.62) MEN1KMT2AL3MBTL1LMNAFLT3
SCHEMBL4042429 0.83 AXL (0.52) FLT3KITAURKAJAK2IRAK4
SCHEMBL4042334 0.82 ULK1 (0.47) MAPTMEN1MAPK1CASP1CASP7
SCHEMBL2089408 0.78 IDO1 (0.50) MAPTKDM4ELMNAFLT3KIT
SCHEMBL4038854 0.78 FLT3 (0.72) FLT3KITAURKAJAK2IRAK4
SCHEMBL6224723 0.77 ULK1 (0.44) MAPTMEN1KMT2ALMNAFLT3
SCHEMBL4043587 0.77 FLT3 (0.64) FLT3KITAURKAJAK2IRAK4
SCHEMBL12780376 0.76 FLT3 (0.43) MAPTMEN1MAPK1KMT2AKDM4E
SCHEMBL4038234 0.76 FLT3 (0.72) MAPTMAPK1FLT3KITAURKA

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 MAPT 937/4885MEN1 1392/4885MAPK1 95/4885

“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.