SCHEMBL21125353

SCHEMBL21125353

N#Cc1ccc(-n2cc3ccccc3n2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 3/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 3/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
MAPK1 P28482 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL29028799 0.78 ESR2 (0.41) ESR2KDM4ELMNAMEN1KMT2A
SCHEMBL422414 0.78 BIRC5 (0.41) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL29028708 0.75 GRM5 (0.49) TSHRESR2ALDH1A1KDM4ELMNA
SCHEMBL30473326 0.75 GRM5 (0.49) TSHRESR2ALDH1A1KDM4ELMNA
SCHEMBL7848179 0.75 ESR2 (0.55) ESR2KDM4EHPGDLMNAMEN1
SCHEMBL19961707 0.74 NOTUM (0.47) ESR2ALDH1A1KDM4EGAALMNA
SCHEMBL2264916 0.74 ESR2 (0.47) ESR2KDM4EPKMLMNAMEN1
SCHEMBL29602839 0.74 L3MBTL1 (0.52) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL28748736 0.73 ESR2 (0.47) ESR2ALDH1A1KDM4ELMNAMEN1
SCHEMBL29885024 0.73 ESR2 (0.47) ESR2ALDH1A1KDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
EP-3478672-B1 BIARYLMETHYL HETEROCYCLES UNIV MONTREAL (CA) 2024-04-10 EP disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-11407733-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-09 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 US disclosed
EP-3478672-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2019-05-08 EP disclosed
WO-2018005591-A1 BIARYLMETHYL HETEROCYCLES UNIVERSITE DE MONTREAL (CA) 2018-01-04 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 (4 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-11407733-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 TSHR 429/4885ESR2 212/4885ALDH1A1 919/4885
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 TSHR 429/4885ESR2 212/4885ALDH1A1 919/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 TSHR 429/4885ESR2 212/4885ALDH1A1 919/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 TSHR 429/4885ESR2 212/4885ALDH1A1 919/4885

“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.