SCHEMBL796768

SCHEMBL796768

Brc1ccc2ncc3nncn3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPM1 P06748 3/20 0.43
ALK Q9UM73 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.36
LCK P06239 1/20 0.34
FABP4 P15090 1/20 0.33
HRH4 Q9H3N8 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GLP1R P43220 1/20 0.32

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
SCHEMBL4602967 0.79 ALK (0.38) NPM1ALKLCKFABP4GABRG2
SCHEMBL34463540 0.77 HRH4 (0.48) ALKSMN1; SMN2HRH4HRH3ALDH1A1
SCHEMBL1602168 0.76 HSD17B10 (0.49) SMN1; SMN2ALDH1A1KMT2ALMNAMAPT
SCHEMBL29821277 0.76 HSD17B10 (0.49) SMN1; SMN2ALDH1A1KMT2ALMNAMAPT
SCHEMBL5358019 0.76 FGFR1 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL31744961 0.75 FGFR1 (0.40) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL2463548 0.75 MAPT (0.36) SMN1; SMN2LCKHRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL439463 0.74 MAPT (0.35) SMN1; SMN2LCKHRH4HRH3ALDH1A1
SCHEMBL21642536 0.73 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL4586177 0.71 NPM1 (0.37) NPM1ALKFABP4HRH4HRH3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
EP-2616468-A1 FUSED HETEROARYLS AND THEIR USES Hutchison Medipharma Limited (CN) 2013-07-24 EP disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO disclosed
EP-0518530-B1 Improvements in or relating to excitatory amino acid receptor antagonists LILLY CO ELI (US) 1996-10-09 EP disclosed
US-5196421-A Treatment of neurological disorders ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0518530-A2 Improvements in or relating to excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1992-12-16 EP disclosed
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 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-20130190307-A1 FUSED HETEROARYLS AND THEIR USES FARS2, TIAL1, DHFR NPM1 509/4885ALK 164/4885SMN1; SMN2 3557/4885

“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.