SCHEMBL4038207

SCHEMBL4038207

COc1cccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)nc(SC)n3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
KIT P10721 3/20 0.46
IRAK4 Q9NWZ3 2/20 0.46
AURKA O14965 1/20 0.46
JAK2 O60674 1/20 0.46
EGFR P00533 1/20 0.43
AXL P30530 1/20 0.43
MAPT P10636 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
TP53 P04637 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPK1 P28482 1/20 0.41
GALR2 O43603 2/20 0.41
GALR1 P47211 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2086601 0.90 FLT3 (0.45) FLT3MEN1KMT2AKITIRAK4
SCHEMBL4040822 0.88 FLT3 (0.45) FLT3MEN1KMT2AKITIRAK4
SCHEMBL12779928 0.87 MAPT (0.55) FLT3MEN1KMT2APOLBKIT
SCHEMBL4038717 0.86 FLT3 (0.58) FLT3MEN1KMT2AKITIRAK4
SCHEMBL4040651 0.84 LMNA (0.42) FLT3MEN1KMT2AKITIRAK4
SCHEMBL12779839 0.83 MEN1 (0.55) FLT3MEN1KMT2AKITIRAK4
SCHEMBL12780013 0.83 MEN1 (0.55) FLT3MEN1KMT2AKITIRAK4
SCHEMBL12780181 0.80 FLT3 (0.46) FLT3POLBKITIRAK4AURKA
SCHEMBL12781973 0.79 HTT (0.47) FLT3MEN1KMT2APOLBKIT
SCHEMBL2087084 0.79 FLT3 (0.52) FLT3KITIRAK4AURKAJAK2

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 11 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-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP 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-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 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
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 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 (3 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 FLT3 667/4885MEN1 3865/4885KMT2A 2686/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS FLT3 675/4885MEN1 3716/4885KMT2A 1910/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 FLT3 220/4885MEN1 1392/4885KMT2A 912/4885

“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.