SCHEMBL2721137

SCHEMBL2721137

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.50
MAP2K4 P45985 1/20 0.50
MAOA P21397 3/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
GABRA1 P14867 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
NFKB1 P19838 1/20 0.49
APEX1 P27695 1/20 0.49

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 0.89 DYRK1A (0.51) DYRK1AMAOAMAPK1KDM4EMEN1
SCHEMBL6123296 0.89 DYRK1A (0.64) DYRK1AMAOAMAPK1KDM4EMEN1
SCHEMBL6123267 0.86 DYRK1A (0.66) DYRK1AMAOAMAPK1KDM4EMEN1
SCHEMBL6122439 0.85 MAPK8 (0.47) DYRK1AMAP2K4MAPK1CYP3A4BRAF
SCHEMBL2721485 0.82 MAOA (0.67) DYRK1AMAOAMAPK1KDM4EMEN1
SCHEMBL2719601 0.82 ROCK2 (0.49) DYRK1AMAOAMAPK1KDM4EMEN1
SCHEMBL2730157 0.82 ROCK2 (0.44) DYRK1AMAOAMAPK1KDM4EMEN1
SCHEMBL2730361 0.82 MAOA (0.55) DYRK1AMAOAMAPK1KDM4EMEN1
SCHEMBL6123239 0.82 MAOA (0.55) DYRK1AMAOAMAPK1KDM4EMEN1
SCHEMBL2718618 0.80 TTK (0.57) MAOAMAPK1KDM4EMEN1GABRP

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-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-2635575-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF Philip Morris Products S.a.s. (CH) 2013-09-11 EP 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
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 DYRK1A 1286/4885MAP2K4 3617/4885MAOA 1701/4885

“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.