SCHEMBL2012644

SCHEMBL2012644

O=[C]c1ccc2cn[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.53
DYRK1A Q13627 2/20 0.53
MAPT P10636 2/20 0.53
METAP2 P50579 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP3A4 P08684 2/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
FGFR1 P11362 6/20 0.49
FGFR2 P21802 2/20 0.47
FGFR3 P22607 1/20 0.47
MAPK1 P28482 1/20 0.46
HSP90AA1 P07900 1/20 0.45
IDO1 P14902 1/20 0.45
CDK2 P24941 1/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL1413255 0.85 ROCK2 (0.53) NOS1DYRK1AMAPTMETAP2KDM4E
SCHEMBL578190 0.81 NOS1 (0.53) NOS1DYRK1AMAPTMETAP2KDM4E
SCHEMBL29941668 0.81 NOS1 (0.53) NOS1DYRK1AMAPTMETAP2KDM4E
SCHEMBL4054705 0.81 NOS1 (0.53) NOS1DYRK1AMAPTMETAP2KDM4E
Hydrochloric Acid SCHEMBL20919850 0.79 NOS1 (0.52) NOS1DYRK1AMAPTMETAP2KDM4E
SCHEMBL3687672 0.75 KDM4E (0.47) NOS1DYRK1AMAPTMETAP2KDM4E
SCHEMBL20593914 0.74 MAP3K20 (0.48) NOS1DYRK1AMAPTMETAP2KDM4E
SCHEMBL30018272 0.74 MAP3K20 (0.48) NOS1DYRK1AMAPTMETAP2KDM4E
SCHEMBL12120903 0.74 MAPT (0.50) NOS1DYRK1AMAPTMETAP2KDM4E
SCHEMBL2926098 0.74 MAPT (0.54) NOS1DYRK1AMAPTMETAP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100797-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LTD (GB) 2003-02-26 EP claimed
US-6372736-B1 ENZYME INHIBITORS PFIZER INC 2002-04-16 US claimed
US-20230242529-A1 HETEROCYCLIC COMPOUND FIMECS, INC. (JP) 2023-08-03 US disclosed
US-11639354-B2 Heterocyclic compound FIMECS, INC. (JP) 2023-05-02 US disclosed
US-20210179614-A1 HETEROCYCLIC COMPOUND FIMECS, INC. (JP) 2021-06-17 US disclosed
CN-109996541-A N- acyl amino acid compounds and its application method 普利安特治疗公司 2019-07-09 CN disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US 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-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO disclosed
US-6562964-B1 Inhibitors of rotamase enzymes in particular FKBP-12 and FKBP-52. The compounds therefore moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases or other disorders PFIZER INC 2003-05-13 US disclosed
EP-1100797-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LTD (GB) 2003-02-26 EP disclosed
US-6372736-B1 ENZYME INHIBITORS PFIZER INC 2002-04-16 US 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 (7 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 1819/4885DYRK1A 1814/4885MAPT 4877/4885
US-20230242529-A1 HETEROCYCLIC COMPOUND XIAP, BIRC5, BIRC3 NOS1 2186/4885DYRK1A 4640/4885MAPT 2229/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE NOS1 526/4885DYRK1A 1988/4885MAPT 4000/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 NOS1 1019/4885DYRK1A 1643/4885MAPT 4272/4885
US-11639354-B2 Heterocyclic compound XIAP, BIRC5, BIRC3 NOS1 2186/4885DYRK1A 4640/4885MAPT 2229/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A NOS1 2037/4885DYRK1A 1872/4885MAPT 4875/4885
US-20210179614-A1 HETEROCYCLIC COMPOUND XIAP, BIRC5, BIRC3 NOS1 2186/4885DYRK1A 4640/4885MAPT 2229/4885

“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.