SCHEMBL29861864

SCHEMBL29861864

COc1nc(C)nc2c1cc(Br)c(=O)n2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.40
PKM P14618 1/20 0.40
SOS1 Q07889 2/20 0.36
CYP1A2 P05177 1/20 0.35
PIK3CA P42336 4/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 3/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAT2A P31153 1/20 0.33
CRHR1 P34998 2/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
RAB9A P51151 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
SCHEMBL23326645 1.00 RXFP1 (0.40) RXFP1PKMSOS1CYP1A2PIK3CA
SCHEMBL30122338 0.90 RXFP1 (0.35) RXFP1PKMSOS1PIK3CAALDH1A1
SCHEMBL25743161 0.83 PIK3CA (0.41) RXFP1PKMPIK3CAALDH1A1HTT
SCHEMBL29918620 0.79 CRHR1 (0.31) PIK3CACRHR1
SCHEMBL25396743 0.79 ALDH1A1 (0.38) RXFP1SOS1CYP1A2PIK3CAALDH1A1
SCHEMBL23326846 0.78 POLB (0.38) RXFP1PKMSOS1CYP1A2ALDH1A1
SCHEMBL23326638 0.78 KDM4E (0.35) RXFP1PIK3CAALDH1A1HTTGAA
SCHEMBL29910267 0.78 KDM4E (0.35) RXFP1PIK3CAALDH1A1HTTGAA
SCHEMBL23326861 0.78 PIK3CA (0.36) RXFP1SOS1PIK3CAALDH1A1HTT
SCHEMBL29861520 0.78 PIK3CA (0.36) RXFP1SOS1PIK3CAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116669738-A Pyrimidopyridone derivative as SOS1 inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2023-08-29 CN disclosed
US-20220324862-A1 PYRIDOPYRIMIDINONE COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED 2022-10-13 US disclosed
WO-2022212531-A1 PYRIDOPYRIMIDINONE COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2022-10-06 WO disclosed
EP-4055017-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-09-14 EP disclosed
CN-114901662-A Bicyclic heteroaryl compounds and uses thereof 锐新医药公司 2022-08-12 CN 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-20220324862-A1 PYRIDOPYRIMIDINONE COMPOUNDS RSU1, SOST, CCNA1 RXFP1 148/4885PKM 2598/4885SOS1 9/4885

“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.