SCHEMBL87418

SCHEMBL87418

O=C(NC1=Nc2ccc(N3CCOCC3)cc2C2=NCCN12)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
MAPT P10636 7/20 0.48
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 6/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL12533812 0.83 KMT2A (0.44) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL87162 0.83 MEN1 (0.44) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL87026 0.83 LMNA (0.47) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL86661 0.81 MAPT (0.48) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL87157 0.81 KMT2A (0.42) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL87158 0.81 SMN1; SMN2 (0.58) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL86803 0.78 KMT2A (0.49) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL86896 0.78 SMN1; SMN2 (0.46) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL86915 0.78 NPSR1 (0.50) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL86512 0.76 SMN1; SMN2 (0.58) RAB9ANPC1MAPTALDH1A1KMT2A

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 11 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
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 EP 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 RAB9A 1543/4885NPC1 4109/4885MAPT 2333/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 RAB9A 2541/4885NPC1 757/4885MAPT 3803/4885

“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.