SCHEMBL3620179

SCHEMBL3620179

Cc1cnc(NN)cc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.50
▸ NOS1 P29475 2/20 0.50
▸ NOS2 P35228 2/20 0.50
▸ NNMT P40261 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ UHRF1 Q96T88 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NUDT1 P36639 1/20 0.32
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31

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
SCHEMBL20772244 0.80 NOS3 (0.35) NOS3NOS1NOS2NNMTALDH1A1
SCHEMBL4751919 0.80 NNMT (0.37) NOS3NOS1NOS2NNMTALDH1A1
SCHEMBL29431324 0.80 NOS3 (0.35) NOS3NOS1NOS2NNMTALDH1A1
SCHEMBL14980823 0.80 NOS3 (0.35) NOS3NOS1NOS2NNMTALDH1A1
SCHEMBL20772252 0.80 NNMT (0.37) NOS3NOS1NOS2NNMTALDH1A1
SCHEMBL24099889 0.80 ALDH1A1 (0.42) NOS3NOS1NOS2NNMTALDH1A1
SCHEMBL20772266 0.80 NNMT (0.37) NOS3NOS1NOS2NNMTALDH1A1
SCHEMBL14183074 0.78 NNMT (0.55) NOS3NOS1NOS2NNMTALDH1A1
SCHEMBL23845559 0.77 NNMT (0.35) NNMTALDH1A1KDM4EMAPTBRD4
SCHEMBL23845626 0.77 NNMT (0.39) NNMTALDH1A1KDM4EMAPTBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019043635-A1 D-AMINO ACID OXIDASE ACTIVITY INHIBITING COMPOUNDS RICHTER GEDEON NYRT. (HU) 2019-03-07 — — WO disclosed
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 — — US disclosed
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 — — US disclosed
EP-2097404-B1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2016-07-27 — — EP disclosed
EP-2097404-B1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2016-07-27 — — EP disclosed
US-9168249-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 — — US disclosed
US-9168249-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 — — US disclosed
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-28 — — US disclosed
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-28 — — US disclosed
US-8987261-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 — — US disclosed
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-17 — — US disclosed
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-17 — — US disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 — — US disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 — — US disclosed
US-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERRING PHARMA AKTIENGELLSCHAFT (DE) 2010-04-15 — — US disclosed
US-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERRING PHARMA AKTIENGELLSCHAFT (DE) 2010-04-15 — — US disclosed
US-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERRING PHARMA AKTIENGELLSCHAFT (DE) 2010-04-15 — — US disclosed
EP-2097404-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF Bayer HealthCare AG (DE) 2009-09-09 — — EP disclosed
WO-2008067874-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 — — WO disclosed
WO-2008067874-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 — — 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-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK NOS3 1490/4885NOS1 2397/4885NOS2 2002/4885
US-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF DCK, THPO, QDPR NOS3 539/4885NOS1 1004/4885NOS2 613/4885
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, HPGDS NOS3 550/4885NOS1 1120/4885NOS2 596/4885
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK NOS3 1490/4885NOS1 2397/4885NOS2 2002/4885
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK NOS3 1490/4885NOS1 2397/4885NOS2 2002/4885

“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.

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