SCHEMBL2473373

SCHEMBL2473373

Cc1cccc(C(N)c2ncc[nH]2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.44
ADRA2B P18089 5/20 0.44
ADRA2C P18825 5/20 0.44
F2RL1 P55085 7/20 0.44
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
ADRA1D P25100 2/20 0.41
KCNH2 Q12809 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
SLC6A2 P23975 1/20 0.40
HTR7 P34969 1/20 0.40
NISCH Q9Y2I1 2/20 0.34
ALDH1A1 P00352 1/20 0.33

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
Demiditraz SCHEMBL29388955 0.84 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1ADRA1A
Demiditraz SCHEMBL617479 0.84 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1ADRA1A
Demiditraz SCHEMBL697081 0.84 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1ADRA1A
Demiditraz SCHEMBL696353 0.84 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1ADRA1A
SCHEMBL2474119 0.82 F2RL1 (0.44) ADRA2AADRA2BADRA2CF2RL1TAAR1
SCHEMBL696724 0.81 F2RL1 (0.60) ADRA2AADRA2BADRA2CF2RL1
SCHEMBL695879 0.79 F2RL1 (0.43) ADRA2AADRA2BADRA2CF2RL1ADRA1A
SCHEMBL698275 0.79 ADRA2A (0.43) ADRA2AADRA2BADRA2CF2RL1ADRA1A
Demiditraz SCHEMBL28114617 0.78 ADRA2A (0.55) ADRA2AADRA2BADRA2CF2RL1ADRA1A
SCHEMBL2471210 0.78 ADRA2A (0.50) ADRA2AADRA2BADRA2CF2RL1TAAR1

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
EP-1546136-B1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RES INST CHEM TECH (KR) 2011-10-05 EP disclosed
US-7279497-B2 Benzopyran derivatives substituted with secondary amines including imidazole, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-10-09 US disclosed
EP-1546136-A4 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RES INST CHEM TECH (KR) 2007-01-24 EP disclosed
US-20050267188-A1 Therapy of cancer, rheumatoid arthritis, and diabetic retinopathies through anti-angiogenic properties, for protection of heart, neuronal cells, brain injury, organs for preservation or in cardiovascular surgery against ischemia-reperfusion injury or oxidative stress KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-12-01 US disclosed
EP-1546136-A1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Korea Research Institute of Chemical Technology (KR) 2005-06-29 EP disclosed
WO-2004014898-A1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-02-19 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-20050267188-A1 Therapy of cancer, rheumatoid arthritis, and diabetic retinopathies through anti-angiogenic properties, for protection of heart, neuronal cells, brain injury, organs for preservation or in cardiovascular surgery against ischemia-reperfusion injury or oxidative stress FLT4, ALDH1A2, KDR ADRA2A 1553/4885ADRA2B 1603/4885ADRA2C 1919/4885

“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.