SCHEMBL4037633

SCHEMBL4037633

COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2ccc(C(=O)N3CCOCC3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.60
KIT P10721 2/20 0.60
IRAK4 Q9NWZ3 2/20 0.60
AURKA O14965 1/20 0.60
LRRK2 Q5S007 15/20 0.54
MAP3K9 P80192 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
PTK2 Q05397 1/20 0.53
JAK2 O60674 1/20 0.51
INSR P06213 1/20 0.51
ALK Q9UM73 1/20 0.51

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
SCHEMBL14369764 0.96 FLT3 (0.58) FLT3KITIRAK4AURKALRRK2
SCHEMBL4047470 0.95 FLT3 (0.57) FLT3KITIRAK4AURKALRRK2
SCHEMBL12780341 0.90 KIT (0.71) FLT3KITIRAK4AURKALRRK2
SCHEMBL4042660 0.89 FLT3 (0.59) FLT3KITIRAK4AURKALRRK2
SCHEMBL4036278 0.88 FLT3 (0.57) FLT3KITIRAK4LRRK2MAP3K9
SCHEMBL12780334 0.86 KIT (0.68) FLT3KITIRAK4AURKALRRK2
SCHEMBL12780326 0.86 KIT (0.67) FLT3KITIRAK4AURKALRRK2
SCHEMBL14369765 0.84 FLT3 (0.54) FLT3KITIRAK4AURKALRRK2
SCHEMBL4042645 0.83 FLT3 (0.73) FLT3KITIRAK4AURKALRRK2
SCHEMBL12780347 0.81 FLT3 (0.70) FLT3KITIRAK4AURKALRRK2

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
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-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 (2 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 667/4885KIT 1838/4885IRAK4 1036/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS FLT3 675/4885KIT 3656/4885IRAK4 1134/4885

“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.