SCHEMBL21395798

SCHEMBL21395798

COC(=O)OCc1cc2sc(Br)nc2c(Cl)c1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
PTPN1 P18031 1/20 0.32
GAA P10253 4/20 0.32
NPC1 O15118 5/20 0.31
RAB9A P51151 5/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
ALDH1A1 P00352 2/20 0.31
DYRK1A Q13627 1/20 0.31
GPR35 Q9HC97 1/20 0.31
STAT1 P42224 1/20 0.31
TOP2A P11388 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21395812 0.80
SCHEMBL19783689 0.73 LMNA (0.45) GAASMN1; SMN2ALDH1A1MAPK1KMT2A
SCHEMBL19783010 0.71 KMT2A (0.32) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL19782781 0.70 MAPT (0.38) MAPTGAAALDH1A1ALOX15PKM
SCHEMBL19783461 0.70 NSD1 (0.37) MAPTGAANPC1ALDH1A1GPR35
SCHEMBL19783026 0.67 PDE10A (0.32) KMT2A
SCHEMBL19782660 0.67 F9 (0.37) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL19782420 0.66 F9 (0.40) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL19782970 0.65 LMNA (0.44) MAPTGAASMN1; SMN2ALDH1A1MAPK1
SCHEMBL31341995 0.64 PIK3CA (0.43) MAPTGAANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US 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 (1 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 1432/4885PTPN1 2174/4885GAA 3912/4885

“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.