SCHEMBL4036749

SCHEMBL4036749

COc1cc(Nc2nc(N)n(-c3ccccc3)n2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 1.00
AXL P30530 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.67
IMPDH2 P12268 1/20 0.61
AURKA O14965 1/20 0.56
JAK2 O60674 1/20 0.56
KIT P10721 1/20 0.56
IRAK4 Q9NWZ3 1/20 0.56
NTRK1 P04629 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
RAD52 P43351 1/20 0.49
LMNA P02545 1/20 0.49
CDK2 P24941 1/20 0.48
PLK1 P53350 1/20 0.48
PLK3 Q9H4B4 1/20 0.48

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
SCHEMBL4047467 0.89 FLT3 (0.80) FLT3AXLSMN1; SMN2IMPDH2AURKA
SCHEMBL4039263 0.88 FLT3 (1.00) FLT3AXLSMN1; SMN2IMPDH2AURKA
SCHEMBL2086414 0.86 FLT3 (0.80) FLT3AXLSMN1; SMN2IMPDH2ALDH1A1
SCHEMBL4038352 0.85 FLT3 (0.80) FLT3AXLSMN1; SMN2IMPDH2AURKA
SCHEMBL4038836 0.84 FLT3 (0.81) FLT3AXLSMN1; SMN2IMPDH2AURKA
SCHEMBL12845210 0.84 FLT3 (0.72) FLT3AXLSMN1; SMN2IMPDH2AURKA
SCHEMBL2087717 0.84 FLT3 (0.72) FLT3AXLSMN1; SMN2
SCHEMBL4039143 0.83 FLT3 (0.80) FLT3AXLSMN1; SMN2IMPDH2AURKA
SCHEMBL4040345 0.83 AXL (1.00) FLT3AXLAURKAJAK2KIT
SCHEMBL4043908 0.82 FLT3 (1.00) FLT3AXLSMN1; SMN2IMPDH2AURKA

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 667/4885AXL 1755/4885SMN1; SMN2 3785/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS FLT3 675/4885AXL 1240/4885SMN1; SMN2 4434/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 FLT3 220/4885AXL 762/4885SMN1; SMN2 3129/4885

“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.