SCHEMBL21395888

SCHEMBL21395888

COc1cc(F)cc2sc(Br)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.39
PDE10A Q9Y233 2/20 0.39
MAPT P10636 8/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 5/20 0.39
PKM P14618 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PDE6D O43924 1/20 0.38
PDE6A P16499 1/20 0.38
PDE6G P18545 1/20 0.38
PDE4A P27815 1/20 0.38
PDE6B P35913 1/20 0.38
PDE6C P51160 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE6H Q13956 1/20 0.38

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
SCHEMBL28564879 0.81 PDE2A (0.39) PDE2APDE10AMAPTKMT2AALDH1A1
SCHEMBL21395394 0.81 CYP3A4 (0.57) PDE2APDE10AMAPTKMT2AALDH1A1
SCHEMBL19782620 0.81 F2RL3 (0.45) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL20305619 0.79 ALOX5 (0.46) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL19782409 0.79 ALDH1A1 (0.39) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL28555921 0.78 PDE2A (0.36) PDE2APDE10AMAPTKMT2AALDH1A1
SCHEMBL28564428 0.78 PDE2A (0.36) PDE2APDE10AMAPTKMT2AALDH1A1
SCHEMBL21395718 0.77 MAPT (0.35) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL19782756 0.77 MAPT (0.38) MAPTKMT2AALDH1A1MEN1PKM
SCHEMBL23462884 0.77 RAB9A (0.42) MAPTKMT2AALDH1A1MEN1PKM

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 PDE2A 1929/4885PDE10A 1981/4885MAPT 1432/4885

“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.