SCHEMBL87126

SCHEMBL87126

CN(C)c1ccc(C(=O)NC2=Nc3ccccc3C3=NCCN23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.43
NAMPT P43490 1/20 0.42
TNF P01375 2/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
ITK Q08881 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 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
SCHEMBL86709 0.89 PIK3CB (0.36) KCNK3NAMPTTNFNOD2NOD1
SCHEMBL87099 0.89 PTAFR (0.44) RAB9AALDH1A1POLBMAPTKDM4E
SCHEMBL86871 0.88 PIK3CB (0.46) RAB9AALDH1A1POLBHDAC4HDAC8
SCHEMBL86964 0.88 MAPT (0.45) NAMPTRAB9AALDH1A1POLBMAPT
SCHEMBL86842 0.87 MEN1 (0.39) RAB9ATDP1POLBHDAC4HDAC8
SCHEMBL86725 0.87 MEN1 (0.41) NAMPTRAB9AALDH1A1MAPTMEN1
SCHEMBL12533693 0.87 DNMT1 (0.36) RAB9APOLBMAPTKDM4EMEN1
SCHEMBL86942 0.86 NPC1 (0.44) RAB9AALDH1A1MAPTKDM4EMEN1
SCHEMBL87360 0.86 TDP1 (0.44) KCNK3RAB9AALDH1A1TDP1POLB
SCHEMBL86952 0.86 ABCG2 (0.41) TNFNOD2NOD1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 KCNK3 2480/4885NAMPT 1080/4885TNF 147/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 KCNK3 432/4885NAMPT 1269/4885TNF 4344/4885

“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.