SCHEMBL2877930

SCHEMBL2877930

N#Cc1nn(Cc2ccc(F)cc2F)c2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.41
KDM4E B2RXH2 1/20 0.38
PDE5A O76074 3/20 0.38
KCNK3 O14649 2/20 0.38
MAPT P10636 1/20 0.38
AKR1B1 P15121 1/20 0.37
ENPP2 Q13822 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2881342 0.91 ELANE (0.41) ELANEPDE5AMAPTL3MBTL1
SCHEMBL30745084 0.86 PDE5A (0.48) ELANEPDE5AMAPT
SCHEMBL174888 0.86 PDE5A (0.48) ELANEPDE5AMAPT
SCHEMBL322043 0.84 PDE5A (0.42) KDM4EPDE5AKCNK3
SCHEMBL20140374 0.83 L3MBTL1 (0.49) ELANEKDM4EMAPTL3MBTL1
SCHEMBL20140434 0.83 L3MBTL1 (0.46) ELANEKDM4EMAPTENPP2L3MBTL1
SCHEMBL2880696 0.82 ELANE (0.40) ELANEPDE5AMAPTL3MBTL1
SCHEMBL2881224 0.82 PDE5A (0.42) ELANEPDE5AMAPTL3MBTL1
SCHEMBL2883465 0.82 MAPT (0.51) ELANEKDM4EMAPTENPP2L3MBTL1
SCHEMBL327415 0.81 MAPT (0.42) KDM4EPDE5AMAPTAKR1B1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216978-B2 Ring-fused pyrimidines and triazines and use thereof for the treatment and/or prophylaxis of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-22 US disclosed
US-9216978-B2 Ring-fused pyrimidines and triazines and use thereof for the treatment and/or prophylaxis of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-22 US disclosed
US-9216978-B2 Ring-fused pyrimidines and triazines and use thereof for the treatment and/or prophylaxis of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-22 US disclosed
US-20140350020-A1 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
US-20140350020-A1 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
US-20140350020-A1 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
EP-2708539-A1 Annulated pyrimidines and triazines and their use Bayer Intellectual Property GmbH (DE) 2014-03-19 EP disclosed
EP-2682394-A1 1H-pyrazolo[3,4-b]pyridin-triazine derivatives and their use for the treatment or the prevention of cardiovascular diseases Bayer Intellectual Property GmbH (DE) 2014-01-08 EP disclosed
WO-2012004258-A9 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-07 WO disclosed
WO-2012004258-A1 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-12 WO disclosed
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
EP-2013205-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES Bayer HealthCare AG (DE) 2009-01-14 EP disclosed
WO-2007124854-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES BAYER HEALTHCARE AG (DE) 2007-11-08 WO disclosed
WO-2007124854-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES BAYER HEALTHCARE AG (DE) 2007-11-08 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 (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-20140350020-A1 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES TYMS, DHFR, DPYD ELANE 4175/4885KDM4E 3832/4885PDE5A 1379/4885
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses AADAC, CYP11B2, PC ELANE 2397/4885KDM4E 4565/4885PDE5A 984/4885

“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.