SCHEMBL2469604

SCHEMBL2469604

COc1ccccc1C(N)c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
SMPD3 Q9NY59 1/20 0.39
ADRA1A P35348 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
F2RL1 P55085 6/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
ACHE P22303 1/20 0.36
MTOR P42345 1/20 0.36
ADK P55263 1/20 0.36

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
SCHEMBL954913 0.83 ADRA2A (0.60) ADRA2AADRA2BADRA2CSMPD3ADRA1A
SCHEMBL2471274 0.82 SCN9A (0.40) ADRA2AADRA2BADRA2CADRA1AF2RL1
SCHEMBL2471210 0.81 ADRA2A (0.50) ADRA2AADRA2BADRA2CF2RL1MTOR
SCHEMBL8654782 0.76 ADRA2A (0.39) ADRA2AADRA2BADRA2CIDO1TDO2
SCHEMBL697812 0.76 ADRA2A (0.56) ADRA2AADRA2BADRA2CSMPD3ADRA1A
SCHEMBL1846406 0.75 ADRA2A (0.67) ADRA2AADRA2BADRA2CADRA1AF2RL1
SCHEMBL2473373 0.75 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1AF2RL1
SCHEMBL3176965 0.75 TAAR1 (0.44) ADRA2AADRA1AIDO1TDO2
SCHEMBL2472106 0.74 TAAR1 (0.43) ADRA2AADRA2BADRA2CF2RL1MTOR
SCHEMBL3403152 0.73 ADRA1A (0.54) SMPD3ADRA1AMTORADKNISCH

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.