SCHEMBL3620372

SCHEMBL3620372

COCCNCc1ccc(NN)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.49
PDCD1 Q15116 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
P4HTM Q9NXG6 1/20 0.41
HCAR3 P49019 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
TLR7 Q9NYK1 3/20 0.39
IL6 P05231 2/20 0.39
BRAF P15056 1/20 0.38
HTT P42858 1/20 0.37
CHEK1 O14757 2/20 0.36
ADRB2 P07550 1/20 0.36
NAMPT P43490 1/20 0.36
AKT1 P31749 1/20 0.36
HDAC1 Q13547 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL18291272 0.81 L3MBTL1 (0.50) CD274PDCD1L3MBTL1P4HTMPIK3CD
SCHEMBL171901 0.80 L3MBTL1 (0.51) CD274PDCD1L3MBTL1P4HTMPIK3CD
SCHEMBL12558344 0.78 L3MBTL1 (0.50) CD274PDCD1L3MBTL1P4HTMPIK3CD
SCHEMBL3617576 0.78 L3MBTL1 (0.54) CD274PDCD1L3MBTL1P4HTMHTT
SCHEMBL20037908 0.78 L3MBTL1 (0.50) CD274PDCD1L3MBTL1P4HTMPIK3CD
SCHEMBL103374 0.78 L3MBTL1 (0.50) CD274PDCD1L3MBTL1P4HTMPIK3CD
SCHEMBL29487186 0.78 L3MBTL1 (0.50) CD274PDCD1L3MBTL1P4HTMPIK3CD
SCHEMBL3615555 0.77 KDM4E (0.41) HCAR3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL247569 0.77 ICAM1 (0.37) CD274PDCD1HCAR3PIK3CDPIK3CA
SCHEMBL7724623 0.77 CA12 (0.39) CD274PDCD1CHEK1NAMPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8609698-B2 Substituted dipyridyl-dihydropyrazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 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
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 (1 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-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF DCK, THPO, QDPR CD274 3790/4885PDCD1 1812/4885L3MBTL1 3176/4885

“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.