SCHEMBL2719601

SCHEMBL2719601

Cc1nccc2c1[nH]c1ccc(-c3cccc(C(=O)NCCO)c3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
FYN P06241 2/20 0.45
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
DYRK1A Q13627 2/20 0.44
MAOA P21397 2/20 0.44
LIMK1 P53667 1/20 0.44
CHUK O15111 1/20 0.44
INSR P06213 1/20 0.44
MAPK8 P45983 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
NEK1 Q96PY6 1/20 0.43
BRAF P15056 1/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43

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
SCHEMBL6123384 0.83 DYRK1A (0.51) ROCK2KDM4EALDH1A1HPGDDYRK1A
SCHEMBL6123296 0.83 DYRK1A (0.64) ROCK2KDM4EALDH1A1HPGDDYRK1A
SCHEMBL6123267 0.82 DYRK1A (0.66) ROCK2KDM4EALDH1A1HPGDDYRK1A
SCHEMBL2721137 0.82 DYRK1A (0.50) ROCK2KDM4EALDH1A1HPGDFYN
SCHEMBL2721259 0.81 BRAF (0.58) KDM4EALDH1A1HPGDDYRK1AMAOA
SCHEMBL6122832 0.78 ROCK2 (0.53) ROCK2KDM4EALDH1A1HPGDDYRK1A
SCHEMBL6123345 0.77 MAOA (0.63) ROCK2KDM4EALDH1A1HPGDDYRK1A
SCHEMBL2721485 0.76 MAOA (0.67) KDM4EALDH1A1HPGDDYRK1AMAOA
SCHEMBL2730157 0.76 ROCK2 (0.44) ROCK2KDM4EALDH1A1HPGDDYRK1A
SCHEMBL6123438 0.76 GRIN2D (0.52) ROCK2KDM4EALDH1A1HPGDDYRK1A

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 8 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-2635575-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF Philip Morris Products S.a.s. (CH) 2013-09-11 EP claimed
WO-2012059232-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF PHILIP MORRIS PRODUCTS S.A (CH) 2012-05-10 WO 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 ROCK2 458/4885KDM4E 2711/4885ALDH1A1 461/4885

“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.