SCHEMBL4038053

SCHEMBL4038053

CC(C)[C@@H](CO)Nc1cc(-n2nc(Nc3ccc(N4CCOCC4)cc3F)nc2N)ncn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.51
KIT P10721 5/20 0.51
IRAK4 Q9NWZ3 4/20 0.51
JAK2 O60674 1/20 0.51
AURKA O14965 2/20 0.48
TRPV3 Q8NET8 3/20 0.40
MAPK9 P45984 3/20 0.39
MAPK10 P53779 3/20 0.39
TBK1 Q9UHD2 1/20 0.38
AXL P30530 3/20 0.37
INSR P06213 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3C2B O00750 1/20 0.35
JAK3 P52333 1/20 0.35
EGFR P00533 1/20 0.35
ERBB3 P21860 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4038050 1.00 FLT3 (0.51) FLT3KITIRAK4JAK2AURKA
SCHEMBL4036467 0.92 FLT3 (0.53) FLT3KITIRAK4JAK2AURKA
SCHEMBL4036472 0.92 FLT3 (0.53) FLT3KITIRAK4JAK2AURKA
SCHEMBL4042249 0.87 FLT3 (0.54) FLT3KITIRAK4JAK2AURKA
SCHEMBL4042254 0.87 FLT3 (0.54) FLT3KITIRAK4JAK2AURKA
SCHEMBL4046134 0.82 FLT3 (0.52) FLT3KITIRAK4JAK2AURKA
SCHEMBL12845295 0.82 FLT3 (0.55) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780406 0.82 FLT3 (0.61) FLT3KITIRAK4JAK2AURKA
SCHEMBL4043796 0.80 FLT3 (0.61) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780409 0.80 FLT3 (0.57) FLT3KITIRAK4JAK2AURKA

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-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 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
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO 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 FLT3 220/4885KIT 1144/4885IRAK4 566/4885

“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.