SCHEMBL19783390

SCHEMBL19783390

CC(=O)c1cnc2c(Br)cc(C)cc2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
PRNP P04156 1/20 0.34
PPARG P37231 1/20 0.34
HTT P42858 1/20 0.34
NCOA2 Q15596 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDR P35968 1/20 0.33
GRM2 Q14416 2/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
PARP1 P09874 1/20 0.31
NQO2 P16083 1/20 0.31

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
SCHEMBL28941145 0.84 XDH (0.43) HTTGAAMAPTNQO2SMN1; SMN2
SCHEMBL19776433 0.81 ALDH1A1 (0.45) ALDH1A1HTTNPSR1RXFP1NPC1
SCHEMBL21395423 0.81 XDH (0.31) XDH
SCHEMBL19782867 0.80 ALDH1A1 (0.33) ALDH1A1GRM2PARP1CCR1CCR5
SCHEMBL19782604 0.78 XDH (0.34) MAPTSMN1; SMN2XDH
SCHEMBL9089178 0.77 NQO2 (0.38) PRNPPPARGHTTNCOA2NPSR1
SCHEMBL29481835 0.76 CCR1 (0.36) PRNPPPARGHTTNCOA2NPSR1
SCHEMBL9090752 0.73 ALDH1A1 (0.47) ALDH1A1NQO2CCR1CCR5CCR8
SCHEMBL19775902 0.73 NQO2 (0.32) NQO2CCR1CCR5CCR8
SCHEMBL19782791 0.73 MEN1 (0.50) ALDH1A1PRNPPPARGHTTNCOA2

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 ALDH1A1 1598/4885PRNP 209/4885PPARG 2612/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 ALDH1A1 1618/4885PRNP 210/4885PPARG 2807/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ALDH1A1 1598/4885PRNP 209/4885PPARG 2612/4885

“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.