SCHEMBL86402

SCHEMBL86402

COc1ccc2c(c1OCCN1CCOCC1)N=C(/C=C(\O)c1cccnc1)N1CCN=C21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
SYK P43405 1/20 0.36
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
QPCT Q16769 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
PTPN1 P18031 1/20 0.34
RAB9A P51151 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL86690 0.91 GAA (0.42) GAADRD2DRD3MEN1KMT2A
SCHEMBL86678 0.87 CHRNB2 (0.40) ABL1BCRDRD2DRD3HTR2A
SCHEMBL86719 0.87 GAA (0.44) GAAMEN1KMT2ASMN1; SMN2
SCHEMBL86785 0.86 CHRNB2 (0.39) ABL1BCRDRD2DRD3HTR2A
SCHEMBL86657 0.86 CYP1A1 (0.39) CYP2D6TSHRSMN1; SMN2
SCHEMBL82157 0.86 CYP1A1 (0.39) CYP2D6TSHRSMN1; SMN2
SCHEMBL29475061 0.86 CYP1A1 (0.39) CYP2D6TSHRSMN1; SMN2
SCHEMBL82158 0.86 CYP1A1 (0.39) CYP2D6TSHRSMN1; SMN2
SCHEMBL86753 0.84 CYP1A1 (0.36) CYP2D6TSHRMEN1KMT2AHTT
SCHEMBL87092 0.84 NPC1 (0.36) CYP2D6TSHRSYKHTR2AKCNH2

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 GAA 1455/4885CYP2D6 3581/4885TSHR 582/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 GAA 2583/4885CYP2D6 291/4885TSHR 3515/4885

“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.