SCHEMBL19782756

SCHEMBL19782756

COc1cc2sc(Br)nc2c(C)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PRNP P04156 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NQO2 P16083 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
ILK Q13418 1/20 0.33

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
SCHEMBL19782409 0.87 ALDH1A1 (0.39) MAPTTSHRSMN1; SMN2ALDH1A1PRNP
SCHEMBL19783068 0.85 MAPT (0.41) MAPTTSHRALDH1A1PRNPNPSR1
SCHEMBL21395718 0.84 MAPT (0.35) MAPTTSHRSMN1; SMN2ALDH1A1PRNP
SCHEMBL30189545 0.83 ALDH1A1 (0.50) MAPTTSHRSMN1; SMN2ALDH1A1ILK
SCHEMBL19783064 0.83 ALDH1A1 (0.36) MAPTTSHRSMN1; SMN2ALDH1A1PRNP
SCHEMBL19782410 0.83 ALDH1A1 (0.50) MAPTTSHRSMN1; SMN2ALDH1A1ILK
SCHEMBL19783081 0.80 MKNK2 (0.32) KMT2A
SCHEMBL23463047 0.80 ALDH1A1 (0.44) MAPTALDH1A1ILKKMT2AMEN1
SCHEMBL19782757 0.79 LMNA (0.39) MAPTTSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL19782781 0.77 MAPT (0.38) MAPTTSHRALDH1A1PRNPNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 MAPT 1432/4885TSHR 1832/4885SMN1; SMN2 3677/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 MAPT 1155/4885TSHR 1191/4885SMN1; SMN2 3957/4885

“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.