SCHEMBL2907392

SCHEMBL2907392

c1cc(CNc2ccc3c(NCc4cccc5[nH]ccc45)cccc3n2)c2c(c1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
DRD2 P14416 5/20 0.35
TTBK1 Q5TCY1 1/20 0.35
TTBK2 Q6IQ55 1/20 0.35
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PIK3CD O00329 1/20 0.34
PTK2 Q05397 1/20 0.34
BTK Q06187 1/20 0.34
KDM4C Q9H3R0 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
SCHEMBL2908075 0.80 ACP1 (0.48) DRD2CYP3A4CYP2D6CYP2C9ADORA1
SCHEMBL2902338 0.80 ELANE (0.39) ROCK2ROCK1HCRTR1HCRTR2GLS
SCHEMBL2905375 0.78 ACP1 (0.42) DRD2CYP3A4CYP2D6CYP2C9ADORA1
SCHEMBL2908507 0.78 MGLL (0.40) DRD2CYP3A4CYP2D6HCRTR1HCRTR2
SCHEMBL1616378 0.77 HCRTR1 (0.35) HCRTR1HCRTR2GLS
SCHEMBL2901732 0.74 EGFR (0.41) ADORA1HCRTR1HCRTR2
SCHEMBL2904724 0.74 HCRTR1 (0.33) TTBK1TTBK2ROCK2ROCK1HCRTR1
SCHEMBL2901477 0.74 BRD4 (0.32) TTBK1TTBK2HCRTR1HCRTR2
SCHEMBL2904343 0.74 BTK (0.36) DRD2HCRTR1HCRTR2BTKJAK2
SCHEMBL2906836 0.73 TSHR (0.40) KDM4C

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US claimed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP claimed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP claimed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO claimed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 US claimed
EP-1479386-A1 Use of isoquinoline-derivatives for treating and preventing pigmentary disorders Switch Biotech Aktiengesellschaft (DE) 2004-11-24 EP claimed
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP disclosed
EP-0956865-B2 MEDICINES COMPRISING Rho KINASE INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2010-08-18 EP disclosed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION 2009-02-05 US disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 US disclosed
US-6218410-B1 ADMINISTERING A PHARMACEUTICALLY EFFECTIVE AMOUNT OF A RHO KINASE INHIBITOR COMPRISING AMIDE COMPOUND FOR INHIBITING RHO KINASE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
EP-0956865-A1 MEDICINES COMPRISING Rho KINASE INHIBITOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-11-17 EP disclosed
US-5747507-A MYOCARDIAL DISEASE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-05-05 US disclosed
EP-0654266-A1 CARDIAC PROTECTIVE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-05-24 EP disclosed
EP-0187371-B1 SUBSTITUTED ISOQUINOLINESULFONYL COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-06-19 EP disclosed
US-4678783-A CARDIOVASCULAR DISORDERS, HYPOTENSIVES, ARTERIOSCLEROSIS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-07-07 US disclosed
EP-0187371-A2 Substituted isoquinolinesulfonyl compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-07-16 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 (2 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-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 MTNR1A 97/4885DRD2 148/4885TTBK1 1539/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA MTNR1A 854/4885DRD2 4632/4885TTBK1 103/4885

“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.