SCHEMBL575050

SCHEMBL575050

Cc1ccc(-c2cc(N)ccc2C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
ABL1 P00519 2/20 0.43
CASP1 P29466 2/20 0.42
PDE10A Q9Y233 2/20 0.42
TSHR P16473 1/20 0.42
PLA2G7 Q13093 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
GRM5 P41594 1/20 0.41
TDO2 P48775 1/20 0.41
MAP4K4 O95819 1/20 0.40
LRRK2 Q5S007 1/20 0.39
HPGDS O60760 1/20 0.39
UHRF1 Q96T88 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL7085456 0.86 PTGS2 (0.43) PTGS2CASP1PDE10ATSHRALDH1A1
SCHEMBL5688064 0.82 TSHR (0.47) PTGS2CASP1PDE10ATSHRPIK3CD
SCHEMBL26923043 0.81 ALDH1A1 (0.45) ABL1CASP1PDE10ATSHRPLA2G7
SCHEMBL3208265 0.80 ABL1 (0.40) ABL1CASP1PDE10ATSHRPLA2G7
SCHEMBL13495562 0.80 GRM5 (0.44) PTGS2ABL1CASP1PDE10ATSHR
SCHEMBL3197156 0.79 ABL1 (0.39) ABL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3204076 0.79 ABL1 (0.39) ABL1CASP1PDE10ATSHRPLA2G7
SCHEMBL3783964 0.78 ALDH1A1 (0.54) CASP1PDE10ATSHRPLA2G7ALDH1A1
SCHEMBL1439800 0.77 AXL (0.56) ABL1PLA2G7ALDH1A1PIK3CATDO2
SCHEMBL30714540 0.77 AXL (0.56) ABL1PLA2G7ALDH1A1PIK3CATDO2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2581374-B1 Preparation of tetrahydropyrido[4,3-b]indole derivatives INST PHARM & TOXICOLOGY AMMS (CN) 2014-03-19 EP claimed
EP-2581374-A1 Preparation of tetrahydropyrido[4,3-b]indole derivatives Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2013-04-17 EP claimed
US-20120122914-A1 Sustained-release composition containing tetrahydropyrido[4,3-b]indole derivatives and preparation of the derivatives INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCE P.L.A.CHINA (CN) 2012-05-17 US claimed
EP-2417973-A1 SUSTAINED RELEASE COMPOSITION CONTAINING TETRAHYDROPYRIDO Ý4, 3-b¨INDOLE DERIVATIVE AND PREPARATION METHOD OF DERIVATIVE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2012-02-15 EP claimed
US-9149467-B2 Sustained-release composition containing tetrahydropyrido[4,3-b]indole derivatives and preparation of the derivatives INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCE P.L.A. CHINA (CN) 2015-10-06 US disclosed
EP-2581374-B1 Preparation of tetrahydropyrido[4,3-b]indole derivatives INST PHARM & TOXICOLOGY AMMS (CN) 2014-03-19 EP disclosed
EP-2417973-B1 SUSTAINED RELEASE COMPOSITION CONTAINING TETRAHYDROPYRIDO [4, 3-B]INDOLE DERIVATIVE INST PHARM & TOXICOLOGY AMMS (CN) 2013-08-28 EP disclosed
EP-2581374-A1 Preparation of tetrahydropyrido[4,3-b]indole derivatives Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2013-04-17 EP disclosed
US-20120122914-A1 Sustained-release composition containing tetrahydropyrido[4,3-b]indole derivatives and preparation of the derivatives INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCE P.L.A.CHINA (CN) 2012-05-17 US disclosed
EP-2417973-A1 SUSTAINED RELEASE COMPOSITION CONTAINING TETRAHYDROPYRIDO Ý4, 3-b¨INDOLE DERIVATIVE AND PREPARATION METHOD OF DERIVATIVE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2012-02-15 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-20120122914-A1 Sustained-release composition containing tetrahydropyrido[4,3-b]indole derivatives and preparation of the derivatives HTT, HTR5A, HTR3B PTGS2 1192/4885ABL1 3549/4885CASP1 2467/4885

“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.