SCHEMBL4043093

SCHEMBL4043093

CN1CCN(C(=O)c2ccc(-n3nc(Nc4ccc5c(c4)OCO5)nc3N)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.48
KIT P10721 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 2/20 0.46
BRD4 O60885 2/20 0.46
ALDH1A1 P00352 5/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 3/20 0.45
PKM P14618 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL2086178 0.90 FLT3 (0.59) FLT3KITSMN1; SMN2MAPTNPC1
SCHEMBL4045266 0.85 FLT3 (0.55) FLT3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2088175 0.85 FLT3 (0.63) FLT3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4043706 0.84 MAPT (0.56) FLT3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4042646 0.83 FLT3 (0.52) FLT3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL12128814 0.81 HPGD (0.61) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL4042074 0.76 FLT3 (0.62) FLT3KITSMN1; SMN2MAPTNPC1
SCHEMBL12780207 0.74 FLT3 (0.52) FLT3KITSMN1; SMN2MAPTNPC1
SCHEMBL3720901 0.73 HPGD (0.47) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL4039240 0.73 FLT3 (0.63) FLT3KITHPGDALDH1A1HSD17B10

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 FLT3 220/4885KIT 1144/4885SMN1; 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.