SCHEMBL1500151

SCHEMBL1500151

CCc1cn2cc(Br)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.55
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 2/20 0.52
TSHR P16473 1/20 0.52
PKM P14618 1/20 0.50
RXFP1 Q9HBX9 2/20 0.47
ALDH1A1 P00352 2/20 0.47
APP P05067 5/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
PAX8 Q06710 1/20 0.44
METTL3 Q86U44 2/20 0.43
KDM4E B2RXH2 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 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
SCHEMBL9598573 0.81 PIK3CG (0.55) PIK3CGRAB9ANPC1SMN1; SMN2TP53
SCHEMBL5760557 0.81 PIK3CG (0.55) PIK3CGRAB9ANPC1SMN1; SMN2TP53
SCHEMBL9570252 0.81 PIK3CG (0.55) PIK3CGRAB9ANPC1SMN1; SMN2TP53
SCHEMBL22499390 0.81 PIK3CG (0.59) PIK3CGRAB9ANPC1SMN1; SMN2TP53
SCHEMBL13633339 0.81 NPC1 (0.52) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL10513008 0.81 PIK3CG (0.50) PIK3CGRAB9ANPC1SMN1; SMN2TP53
SCHEMBL10222603 0.79 KDM4E (0.44) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL1500197 0.79 PIK3CG (0.51) PIK3CGRAB9ANPC1SMN1; SMN2TP53
SCHEMBL1500354 0.79 PIK3CG (0.51) PIK3CGRAB9ANPC1SMN1; SMN2TP53
SCHEMBL16797795 0.79 PIK3CG (0.56) PIK3CGRAB9ANPC1SMN1; SMN2TP53

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-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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 (3 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 PIK3CG 3385/4885RAB9A 1551/4885NPC1 2106/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 PIK3CG 2785/4885RAB9A 1128/4885NPC1 2125/4885
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP PIK3CG 2034/4885RAB9A 1346/4885NPC1 1233/4885

“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.