SCHEMBL86859

SCHEMBL86859

O=C(NC1=Nc2cc(OCCN3CCOCC3)ccc2C2=NCCN12)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
EPHX2 P34913 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDR P35968 1/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
FLT3 P36888 1/20 0.42
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42
CHUK O15111 1/20 0.41
INSR P06213 1/20 0.41
MAPK8 P45983 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK14 Q16539 2/20 0.41
HDAC1 Q13547 1/20 0.40

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
SCHEMBL81609 0.88 MAPT (0.38) GAASMN1; SMN2DRD2DRD3TP53
SCHEMBL87090 0.88 RAB9A (0.40) GAASMN1; SMN2TP53MEN1KMT2A
SCHEMBL86864 0.88 HTT (0.48) GAASMN1; SMN2TP53MEN1KMT2A
SCHEMBL2258924 0.87 GAA (0.43) GAAEPHX2SMN1; SMN2ROCK2TP53
SCHEMBL86672 0.87 KMT2A (0.40) GAASMN1; SMN2TP53MEN1KMT2A
SCHEMBL86977 0.85 RAB9A (0.38) GAASMN1; SMN2KDRTP53MEN1
SCHEMBL86858 0.84 MAPT (0.43) GAASMN1; SMN2KDRTP53MEN1
SCHEMBL81927 0.84 ALDH1A1 (0.42) GAASMN1; SMN2MEN1KMT2A
SCHEMBL86863 0.84 MAPT (0.43) GAASMN1; SMN2KDRTP53MEN1
SCHEMBL83770 0.82 TSHR (0.51) SMN1; SMN2MEN1KMT2A

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 1455/4885EPHX2 1467/4885SMN1; SMN2 3659/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 GAA 2583/4885EPHX2 2320/4885SMN1; SMN2 1755/4885

“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.