SCHEMBL3583623

SCHEMBL3583623

CCOC(=O)c1nc(Cc2ccccc2F)c2ncccn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
SLC26A6 Q9BXS9 2/20 0.39
POLB P06746 1/20 0.38
NPC1 O15118 4/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 3/20 0.38

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
SCHEMBL14746623 0.83 PDE4B (0.39) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20140279 0.80 KMT2A (0.39) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL14776622 0.75 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL20140324 0.75 PDE4A (0.44) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8218719 0.74 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL14746744 0.71 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3575506 0.71 L3MBTL1 (0.42) KDM4EALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL14746456 0.71 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL21564214 0.71 AR (0.37) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3579101 0.70 NPC1 (0.41) ALDH1A1SMN1; SMN2NPC1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP disclosed
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP disclosed
US-20150105374-A1 Substituted annellated pyrimidines and use thereof BAYER IP GMBH (DE) 2015-04-16 US disclosed
US-20150105374-A1 Substituted annellated pyrimidines and use thereof BAYER IP GMBH (DE) 2015-04-16 US disclosed
US-8859569-B2 Substituted annellated pyrimidines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-14 US disclosed
EP-2751106-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-07-09 EP disclosed
WO-2013030288-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 WO disclosed
WO-2013030288-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 WO disclosed
US-8309551-B2 Pyrazolopyridine, indazole, imidazopyridine, imidazopyrimidine, pyrazolopyrazine and pyrazolopyridine derivatives as stimulators of guanylate cyclase for cardiovascular disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-13 US disclosed
US-8309551-B2 Pyrazolopyridine, indazole, imidazopyridine, imidazopyrimidine, pyrazolopyrazine and pyrazolopyridine derivatives as stimulators of guanylate cyclase for cardiovascular disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-13 US disclosed
US-8309551-B2 Pyrazolopyridine, indazole, imidazopyridine, imidazopyrimidine, pyrazolopyrazine and pyrazolopyridine derivatives as stimulators of guanylate cyclase for cardiovascular disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-13 US disclosed
US-20100029653-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATIVES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029653-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATIVES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029653-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATIVES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
WO-2008031513-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 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-20150105374-A1 Substituted annellated pyrimidines and use thereof TYMS, TYMP, NUDT1 KDM4E 3798/4885ALDH1A1 226/4885HPGD 526/4885
US-20100029653-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATIVES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS PDE3A, PDE2A, PDE3B KDM4E 3260/4885ALDH1A1 2240/4885HPGD 279/4885

“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.