SCHEMBL19782409

SCHEMBL19782409

COc1cc2sc(Br)nc2c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 5/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NQO2 P16083 5/20 0.35
KMT2A Q03164 2/20 0.33
SCD O00767 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
AHR P35869 1/20 0.33
PRNP P04156 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
STING1 Q86WV6 1/20 0.32
PKM P14618 1/20 0.32
HDAC3 O15379 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
SCHEMBL19782756 0.87 MAPT (0.38) ALDH1A1MAPTTSHRSMN1; SMN2NQO2
SCHEMBL21395718 0.87 MAPT (0.35) ALDH1A1MAPTTSHRSMN1; SMN2KMT2A
SCHEMBL19783064 0.85 ALDH1A1 (0.36) ALDH1A1MAPTTSHRSMN1; SMN2KMT2A
SCHEMBL19783430 0.83 ALDH1A1 (0.38) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL19782754 0.81 ALDH1A1 (0.62) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL21395888 0.79 PDE2A (0.39) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL19783068 0.77 MAPT (0.41) ALDH1A1MAPTTSHRNQO2KMT2A
SCHEMBL19783016 0.76 ALDH1A1 (0.41) ALDH1A1LMNAMAPTKMT2AKDM4E
SCHEMBL3071959 0.76 ALDH1A1 (0.63) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL21379366 0.75 ALDH1A1 (0.40) ALDH1A1LMNAMAPTKMT2AKDM4E

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 7 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
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 1598/4885LMNA 603/4885MAPT 1155/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 ALDH1A1 1618/4885LMNA 745/4885MAPT 1432/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ALDH1A1 1598/4885LMNA 603/4885MAPT 1155/4885

“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.