SCHEMBL86772

SCHEMBL86772

Cc1nc(C)c(/C(O)=C/C2=Nc3ccccc3C3=NCCN23)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
PTAFR P25105 6/20 0.35
DNMT1 P26358 1/20 0.35
RAD52 P43351 1/20 0.35
UHRF1 Q96T88 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC4 P56524 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
HTR2C P28335 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
EED O75530 1/20 0.32
DCAF15 Q66K64 1/20 0.32

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
SCHEMBL81215 0.82 ALDH1A1 (0.34) GAAALDH1A1MAPTLMNAPTAFR
SCHEMBL81214 0.82 ALDH1A1 (0.34) GAAALDH1A1MAPTLMNAPTAFR
SCHEMBL86416 0.82 ALDH1A1 (0.34) GAAALDH1A1MAPTLMNAPTAFR
SCHEMBL86484 0.79 PIK3CB (0.44) PTAFRDNMT1RAD52UHRF1HDAC8
SCHEMBL86927 0.78 RAB9A (0.49) GAAALDH1A1MAPTLMNARECQL
SCHEMBL86918 0.76 PTAFR (0.47) GAAALDH1A1MAPTPTAFRDNMT1
SCHEMBL86763 0.76 PTAFR (0.43) ALDH1A1MAPTPTAFRDNMT1RAD52
SCHEMBL86756 0.75 PIK3CB (0.36) ALDH1A1MAPTPTAFRDNMT1RAD52
SCHEMBL86777 0.75 DNMT1 (0.40) MAPTPTAFRDNMT1RAD52UHRF1
SCHEMBL86735 0.75 PTAFR (0.43) PTAFRDNMT1RAD52UHRF1HDAC8

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-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 1455/4885ALDH1A1 4300/4885MAPT 2333/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 GAA 2583/4885ALDH1A1 798/4885MAPT 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.