SCHEMBL4139418

SCHEMBL4139418

Cn1c(N)nc(Cc2cccc(C=Cc3ccccn3)c2)cc1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.57
FGFR1 P11362 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
IP6K1 Q92551 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL4139412 1.00 BACE1 (0.57) BACE1FGFR1NPC1RAB9AALDH1A1
SCHEMBL4152977 0.89 BACE1 (0.64) BACE1NPC1RAB9AALDH1A1MAPT
SCHEMBL4152976 0.89 BACE1 (0.64) BACE1NPC1RAB9AALDH1A1MAPT
SCHEMBL4150692 0.86 BACE1 (0.57) BACE1NPC1RAB9AALDH1A1MAPT
SCHEMBL4150691 0.86 BACE1 (0.57) BACE1NPC1RAB9AALDH1A1MAPT
SCHEMBL4136351 0.82 BACE1 (0.61) BACE1
SCHEMBL4136356 0.82 BACE1 (0.61) BACE1
SCHEMBL4155652 0.81 BACE1 (0.57) BACE1ALDH1A1MAPT
SCHEMBL4155646 0.81 BACE1 (0.57) BACE1ALDH1A1MAPT
SCHEMBL5332042 0.81 BACE1 (0.61) BACE1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 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 (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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 BACE1 3/4885FGFR1 3806/4885NPC1 1190/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885FGFR1 2364/4885NPC1 2655/4885

“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.