SCHEMBL19736713

SCHEMBL19736713

CC(=O)OCc1cn2cc(Br)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
RXFP1 Q9HBX9 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.47
METTL3 Q86U44 3/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.44
PIK3CG P48736 1/20 0.44
MAPK1 P28482 1/20 0.43
AHR P35869 1/20 0.43
PSD A5PKW4 1/20 0.42
PKM P14618 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
MAP3K5 Q99683 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL27598109 0.83 KDM4E (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL1500340 0.81 RAB9A (0.51) NPC1RAB9ARXFP1SMN1; SMN2ALDH1A1
SCHEMBL10513008 0.80 PIK3CG (0.50) NPC1RAB9ARXFP1SMN1; SMN2ALDH1A1
SCHEMBL22527827 0.80 TSHR (0.53) NPC1RAB9AALDH1A1TSHRMETTL3
SCHEMBL12419636 0.78 TSHR (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL4822612 0.78 KDM4E (0.47) NPC1RAB9ARXFP1SMN1; SMN2ALDH1A1
SCHEMBL23018101 0.77 RXFP1 (0.38) NPC1RAB9ARXFP1SMN1; SMN2ALDH1A1
SCHEMBL23633192 0.76 ALDH1A1 (0.56) NPC1RAB9ARXFP1SMN1; SMN2ALDH1A1
SCHEMBL1500225 0.76 RXFP1 (0.45) NPC1RAB9ARXFP1SMN1; SMN2ALDH1A1
SCHEMBL19736961 0.75 RXFP1 (0.55) NPC1RAB9ARXFP1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3472160-B1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-24 EP disclosed
US-10894793-B2 Bicyclic pyridine, pyrazine, and pyrimidine derivatives as PI3K beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-01-19 US disclosed
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-06-06 US disclosed
WO-2017216292-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 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-10894793-B2 Bicyclic pyridine, pyrazine, and pyrimidine derivatives as PI3K beta inhibitors PIK3CA, PIK3CD, PIK3CB NPC1 3338/4885RAB9A 2009/4885RXFP1 4817/4885
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS PIK3CA, PIK3CD, PIK3CB NPC1 3338/4885RAB9A 2009/4885RXFP1 4817/4885

“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.