SCHEMBL907620

SCHEMBL907620

[NH]c1ccc2[nH]ncc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.59
ROCK2 O75116 4/20 0.59
MAPT P10636 3/20 0.59
ROCK1 Q13464 2/20 0.59
METAP2 P50579 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CSNK2A1 P68400 1/20 0.59
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
HIF1A Q16665 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
GSK3B P49841 3/20 0.53
DYRK1A Q13627 3/20 0.53
CLK1 P49759 2/20 0.53
DYRK3 O43781 1/20 0.53
CLK2 P49760 1/20 0.53

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
SCHEMBL993762 0.83 NOS1 (0.59) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL8022440 0.78 NOS1 (0.59) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL3497213 0.74 TRPA1 (0.59) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL3540025 0.74 NOS1 (1.00) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL29520931 0.74 ROCK2 (0.59) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL277777 0.74 ROCK2 (0.59) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL3995547 0.74 NOS1 (0.59) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL117208 0.74 ROCK2 (1.00) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL264176 0.74 NOS1 (1.00) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL5562 0.74 NOS1 (1.00) NOS1ROCK2MAPTROCK1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US claimed
US-7098215-B2 Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-08-29 US claimed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-03 US disclosed
EP-2276750-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2011-01-26 EP disclosed
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
EP-2133343-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-12-16 EP disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2006092573-A1 INDAZOLYLAMINO QIONAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2006-09-08 WO disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
US-6608058-B2 Therapeutic composition for hepatitis B, hepatitis C, or acquired immune deficiency syndrome DONG WHA PHARM. IND. CO., LTD. (KR) 2003-08-19 US disclosed
US-20030092709-A1 6-Methylnicotinamide derivatives as antiviral agents DONG WHA PHARM. CO., LTD. (KR) 2003-05-15 US disclosed
US-6492383-B1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2002-12-10 US disclosed
WO-2001078648-A2 6-METHYLNICOTINAMIDE DERIVATIVES AS ANTIVIRAL AGENTS DONG WHA PHARM. IND. CO., LTD. (KR) 2001-10-25 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 (5 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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 NOS1 1819/4885ROCK2 4770/4885MAPT 4877/4885
US-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY PIK3CA, PIK3R5, PIK3CD NOS1 3158/4885ROCK2 2313/4885MAPT 4526/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE NOS1 526/4885ROCK2 2267/4885MAPT 4000/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C NOS1 2382/4885ROCK2 4741/4885MAPT 4144/4885
US-20030092709-A1 6-Methylnicotinamide derivatives as antiviral agents TPMT, HAVCR2, NNMT NOS1 950/4885ROCK2 4018/4885MAPT 375/4885

“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.