SCHEMBL6317601

SCHEMBL6317601

NC(=O)c1c(-c2ccc3ccccc3n2)noc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 4/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GMNN O75496 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
GAA P10253 2/20 0.40
IKBKB O14920 1/20 0.40
TACR3 P29371 1/20 0.39

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
SCHEMBL6316105 0.89 NPC1 (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6317061 0.80 ALDH1A1 (0.44) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL6316714 0.79 RAB9A (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6318150 0.79 CA1 (0.49) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6315987 0.77 NPC1 (0.47) NPC1RAB9AHPGDSMN1; SMN2TACR3
SCHEMBL6616343 0.76 SMO (0.40) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6316802 0.76 MAP4K4 (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6318141 0.75 RET (0.47) MEN1KMT2AHSD17B10KDM4EBLM
SCHEMBL6317140 0.75 MAPT (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6318523 0.75 ADORA1 (0.38) NPC1RAB9AMEN1KMT2AALDH1A1

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050113283-A1 Methods of treating conditions associated with an EDG-4 receptor MANIV ENERGY CAPITAL 2005-05-26 US disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 NPC1 3741/4885RAB9A 1754/4885MEN1 2789/4885
US-20050113283-A1 Methods of treating conditions associated with an EDG-4 receptor EDNRA, EDNRB, ESRRG NPC1 2724/4885RAB9A 3887/4885MEN1 2371/4885

“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.