SCHEMBL6323388

SCHEMBL6323388

COc1ccc(CNC(=O)c2c(-c3cccnc3)noc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.56
HCRTR2 O43614 2/20 0.56
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 2/20 0.53
MAPT P10636 3/20 0.52
MGAM O43451 2/20 0.49
AMY1A P0DUB6 1/20 0.49
GSK3B P49841 1/20 0.48
BACE1 P56817 1/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL6317566 0.90 KMT2A (0.60) HCRTR1HCRTR2ALDH1A1RAB9AKMT2A
SCHEMBL6324120 0.89 ALDH1A1 (0.60) HCRTR1HCRTR2ALDH1A1RAB9AKMT2A
SCHEMBL6317485 0.87 HCRTR2 (0.59) HCRTR1HCRTR2ALDH1A1LMNA
SCHEMBL6323454 0.87 ALDH1A1 (0.49) HCRTR1HCRTR2ALDH1A1MAPT
SCHEMBL6316553 0.87 ALDH1A1 (0.66) ALDH1A1RAB9AKMT2AKDM4EGAA
SCHEMBL6315811 0.87 TSHR (0.56) ALDH1A1RAB9AKMT2AMEN1KDM4E
SCHEMBL6316658 0.86 TAS1R3 (0.53) HCRTR1HCRTR2ALDH1A1RAB9AKMT2A
SCHEMBL6315640 0.84 SMN1; SMN2 (0.53) HCRTR1HCRTR2ALDH1A1RAB9AKMT2A
SCHEMBL6316520 0.84 MAPT (0.52) HCRTR1HCRTR2ALDH1A1RAB9ANPC1
SCHEMBL6316081 0.83 ALDH1A1 (0.55) ALDH1A1KMT2ANPC1MEN1KDM4E

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 6 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-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 (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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 HCRTR1 4375/4885HCRTR2 4380/4885ALDH1A1 4444/4885

“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.