Sugi Predict

Sugi Predict / Compounds / SCHEMBL2721053

SCHEMBL2721053

SCHEMBL2721053

COc1cncc(-c2ccc3[nH]c4c(C)nccc4c3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 12/20 0.56
▸ DYRK1A Q13627 6/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ CLK2 P49760 2/20 0.56
▸ CLK3 P49761 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ CCNB2 O95067 2/20 0.56
▸ CDK1 P06493 2/20 0.56
▸ CCNB1 P14635 2/20 0.56
▸ CCNA2 P20248 2/20 0.56
▸ CDK2 P24941 2/20 0.56
▸ CCNA1 P78396 2/20 0.56
▸ CDK5 Q00535 2/20 0.56
▸ CDK5R1 Q15078 2/20 0.56
▸ CCNB3 Q8WWL7 2/20 0.56

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
SCHEMBL6123447 0.87 MAOA (0.68) MAOADYRK1ACYP1A2CYP3A4CLK2
SCHEMBL6123443 0.85 MAOA (0.62) MAOADYRK1ACYP1A2CYP3A4CLK2
SCHEMBL6122663 0.82 MAOA (0.54) MAOADYRK1ACYP1A2CYP3A4CLK2
SCHEMBL5035404 0.81 MAOA (0.78) MAOADYRK1ACYP1A2CYP3A4CLK2
SCHEMBL6123307 0.80 MAOA (0.55) MAOADYRK1ACYP1A2CYP3A4CLK2
SCHEMBL15316306 0.78 MAOA (0.52) MAOADYRK1ACYP1A2CYP3A4CLK2
SCHEMBL2721485 0.78 MAOA (0.67) MAOADYRK1ACYP1A2CYP3A4CLK2
SCHEMBL28665099 0.77 CCNB2 (0.67) MAOADYRK1ACYP1A2CYP3A4CLK2
SCHEMBL2731668 0.77 MAOA (0.56) MAOADYRK1ACYP1A2CYP3A4CLK2
SCHEMBL6123343 0.77 MAOA (0.56) MAOADYRK1ACYP1A2CYP3A4CLK2

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
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-2635575-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF Philip Morris Products S.a.s. (CH) 2013-09-11 — — EP disclosed
WO-2012059232-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF PHILIP MORRIS PRODUCTS S.A (CH) 2012-05-10 — — WO 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 MAOA 1701/4885DYRK1A 1286/4885CYP1A2 7/4885

“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.