SCHEMBL12641998

SCHEMBL12641998

Cc1cc(-c2ccc(N)cc2)cn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 2/20 0.46
BRD4 O60885 3/20 0.40
BRD9 Q9H8M2 2/20 0.40
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
HSD17B10 Q99714 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
KEAP1 Q14145 1/20 0.38
ACHE P22303 1/20 0.37
KIF11 P52732 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALOX15 P16050 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1126626 0.78 BRD4 (0.60) ALDH1A1BRD4BRD9KDM4ENPC1
SCHEMBL19869754 0.77 BRD4 (0.69) BRD4BRD9AURKATTKAURKB
SCHEMBL5174359 0.72
SCHEMBL25258561 0.71 BRD4 (0.49) ALDH1A1CYP3A4TDP1TP53BRD4
Benzidine SCHEMBL501952 0.68 ALDH1A1 (0.85) ALDH1A1CYP3A4TDP1TP53HSD17B10
Benzidine SCHEMBL27459735 0.68 ALDH1A1 (0.85) ALDH1A1CYP3A4TDP1TP53HSD17B10
SCHEMBL258287 0.68 CYP3A4 (1.00) ALDH1A1CYP3A4TDP1TP53HSD17B10
SCHEMBL2024128 0.68 CYP3A4 (1.00) ALDH1A1CYP3A4TDP1TP53HSD17B10
Benzidine SCHEMBL29021 0.68 CYP3A4 (1.00) ALDH1A1CYP3A4TDP1TP53HSD17B10
SCHEMBL28842081 0.68 CYP3A4 (1.00) ALDH1A1CYP3A4TDP1TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines PHEON THERAPEUTICS LTD (GB) 2024-02-27 US disclosed
US-9999625-B2 Pyrrolobenzodiazepine compounds FEMTOGENIX LIMITED (GB) 2018-06-19 US disclosed
US-20180162855-A1 PDD AND BPD COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2018-06-14 US disclosed
US-20170050971-A1 PYRROLOBENZODIAZEPINE COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2017-02-23 US disclosed
US-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2011-06-30 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 (4 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-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS PCNA, POLL, XPA ALDH1A1 2642/4885CYP3A4 3030/4885TDP1 269/4885
US-20170050971-A1 PYRROLOBENZODIAZEPINE COMPOUNDS DRD1, DRD2, DRD3 ALDH1A1 750/4885CYP3A4 739/4885TDP1 1730/4885
US-20180162855-A1 PDD AND BPD COMPOUNDS DRD1, DRD2, XDH ALDH1A1 869/4885CYP3A4 2392/4885TDP1 1917/4885
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines MKI67, CCND2, CCND1 ALDH1A1 443/4885CYP3A4 1486/4885TDP1 943/4885

“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.