SCHEMBL87383

SCHEMBL87383

CN1CCN(c2ccc(C(=O)NC3=Nc4ccccc4C4=NCCN34)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
GSK3B P49841 1/20 0.46
F10 P00742 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
FLT3 P36888 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM1A O60341 3/20 0.42
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
KDM1B Q8NB78 3/20 0.42
RCOR1 Q9UKL0 3/20 0.42
AURKA O14965 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL87099 0.85 PTAFR (0.44) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL86871 0.85 PIK3CB (0.46) NPC1RAB9AHDAC8MEN1KMT2A
SCHEMBL86716 0.84 AOC2 (0.41) RAB9AHDAC3HDAC8MEN1KMT2A
SCHEMBL86842 0.84 MEN1 (0.39) NPC1RAB9AHDAC8MEN1KMT2A
SCHEMBL86725 0.83 MEN1 (0.41) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL12533693 0.83 DNMT1 (0.36) NPC1RAB9AGSK3BF10MEN1
SCHEMBL87126 0.83 KCNK3 (0.43) NPC1RAB9AHDAC3HDAC8MEN1
SCHEMBL87360 0.83 TDP1 (0.44) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL86942 0.83 NPC1 (0.44) NPC1RAB9AF10MEN1KMT2A
SCHEMBL86952 0.82 ABCG2 (0.41) NPC1RAB9AF10MEN1KMT2A

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 9 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-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 NPC1 4109/4885RAB9A 1543/4885GSK3B 61/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 NPC1 757/4885RAB9A 2541/4885GSK3B 993/4885

“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.