SCHEMBL19782299

SCHEMBL19782299

O=Cc1ncc(N=C(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
ALDH1A1 P00352 5/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.33
AGTR1 P30556 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
DAO P14920 1/20 0.30

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
SCHEMBL19783219 0.75 KDM4E (0.43) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL19783218 0.72 GRM5 (0.46) ESR1ESR2ALDH1A1GAAMEN1
SCHEMBL28849937 0.72 ESR1 (0.33) ESR1ESR2
SCHEMBL12984299 0.72 ESR1 (0.39) ESR1ESR2ALDH1A1MAPK1TDP1
SCHEMBL9952222 0.71 TSHR (0.49) ALDH1A1MAPK1KDM4ERAB9ASMN1; SMN2
SCHEMBL29182995 0.71 ESR2 (0.47) ESR1ESR2ALDH1A1GAAMEN1
SCHEMBL4450591 0.70 ESR2 (0.74) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL30127653 0.69 ESR1 (0.39) ESR1ESR2ALDH1A1GAAKMT2A
SCHEMBL12336908 0.68 ESR2 (0.78) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL15717660 0.68 ESR2 (0.71) ESR1ESR2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 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 (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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 ESR1 3332/4885ESR2 3147/4885ALDH1A1 1598/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 ESR1 3206/4885ESR2 3215/4885ALDH1A1 1618/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ESR1 3332/4885ESR2 3147/4885ALDH1A1 1598/4885

“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.