SCHEMBL19783084

SCHEMBL19783084

O=C(O)COc1cc2sc(Br)nc2c(Cl)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
PPARG P37231 1/20 0.40
CASP7 P55210 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
AKR1B1 P15121 2/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.35
MAPT P10636 1/20 0.35
PPARD Q03181 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
PLAU P00749 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
SCHEMBL19783064 0.76 ALDH1A1 (0.36) PKMALDH1A1KDM4ENPSR1TDP1
SCHEMBL19783184 0.73 LMNA (0.43) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL19782757 0.72 LMNA (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL19783141 0.72
SCHEMBL19783375 0.71 F2RL3 (0.51)
SCHEMBL30189759 0.71 F2RL3 (0.51)
SCHEMBL19782755 0.71 NSD1 (0.37) ALDH1A1
SCHEMBL19783430 0.69 ALDH1A1 (0.38) PKMALDH1A1KDM4EHPGDNPSR1
SCHEMBL19783016 0.66 ALDH1A1 (0.41) PKMALDH1A1KDM4ETDP1MAPT
SCHEMBL19783026 0.66 PDE10A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PKM 1245/4885ALDH1A1 1618/4885KDM4E 1865/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 PKM 1345/4885ALDH1A1 1598/4885KDM4E 2420/4885

“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.