SCHEMBL6123296

SCHEMBL6123296

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.64
MAOA P21397 3/20 0.50
GABRA1 P14867 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRA6 Q16445 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50

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 0.91 DYRK1A (0.51) DYRK1AMAOAGABRA1GABRG2GABRB3
SCHEMBL2721137 0.89 DYRK1A (0.50) DYRK1AMAOAGABRA1GABRG2GABRB3
SCHEMBL6123267 0.87 DYRK1A (0.66) DYRK1AMAOAGABRA1GABRG2GABRB3
SCHEMBL2721485 0.86 MAOA (0.67) DYRK1AMAOAGABRA1GABRG2GABRB3
SCHEMBL2719601 0.83 ROCK2 (0.49) DYRK1AMAOAGABRA1GABRG2GABRB3
SCHEMBL2730157 0.83 ROCK2 (0.44) DYRK1AMAOAGABRA1GABRG2GABRB3
SCHEMBL6123438 0.83 GRIN2D (0.52) DYRK1AMAOAGABRA1GABRG2GABRB3
SCHEMBL2730361 0.83 MAOA (0.55) DYRK1AMAOAGABRA1GABRG2GABRB3
SCHEMBL6122809 0.80 CCNB2 (0.60) DYRK1AMAOAGABRA1GABRG2GABRB3
SCHEMBL6123249 0.80 TDO2 (0.57) DYRK1AMAOAGABRA1GABRG2GABRB3

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 4 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 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 DYRK1A 1286/4885MAOA 1701/4885GABRA1 1582/4885

“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.