SCHEMBL6122809

SCHEMBL6122809

Cc1nccc2c1[nH]c1ccc(-c3cccc(F)c3)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.60
CDK1 P06493 2/20 0.60
CCNB1 P14635 2/20 0.60
CCNA2 P20248 2/20 0.60
CDK2 P24941 2/20 0.60
CCNA1 P78396 2/20 0.60
CDK5 Q00535 2/20 0.60
CDK5R1 Q15078 2/20 0.60
CCNB3 Q8WWL7 2/20 0.60
TDO2 P48775 2/20 0.57
MAOA P21397 10/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55

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
SCHEMBL28665099 0.89 CCNB2 (0.67) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL2721485 0.88 MAOA (0.67) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL2730361 0.84 MAOA (0.55) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL6123249 0.84 TDO2 (0.57) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL6123239 0.84 MAOA (0.55) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL6123260 0.84 TDO2 (0.60) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL6122954 0.83 MAOA (0.54) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL28668809 0.83 CCNB2 (0.62) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL27911883 0.82 MAOA (0.52) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL6123443 0.82 MAOA (0.62) CCNB2CDK1CCNB1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274258-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF PHILIP MORRIS PRODUCTS S.A. (CH) 2013-10-17 US claimed
EP-2455378-A1 Carbazole and carboline derivatives, and preparation and therapeutic applications thereof Philip Morris Products S.A. (CH) 2012-05-23 EP claimed
US-20130274258-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF PHILIP MORRIS PRODUCTS S.A. (CH) 2013-10-17 US disclosed
US-20130274258-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF PHILIP MORRIS PRODUCTS S.A. (CH) 2013-10-17 US disclosed
US-20130274258-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF PHILIP MORRIS PRODUCTS S.A. (CH) 2013-10-17 US disclosed
EP-2455378-A1 Carbazole and carboline derivatives, and preparation and therapeutic applications thereof Philip Morris Products S.A. (CH) 2012-05-23 EP 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-20130274258-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF CCNI, CCNY, CYCS CCNB2 60/4885CDK1 29/4885CCNB1 76/4885

“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.