SCHEMBL86759

SCHEMBL86759

CCCC(=O)NC1=Nc2ccccc2C2=NCCN12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
PTAFR P25105 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDP2 O95551 1/20 0.38
PAX8 Q06710 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TLR9 Q9NR96 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
DNMT1 P26358 1/20 0.38
RAD52 P43351 1/20 0.38
UHRF1 Q96T88 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
GLA P06280 2/20 0.38
PTPRC P08575 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL86758 0.91 PTAFR (0.41) TSHRPTAFRNPC1RAB9ADNMT1
SCHEMBL87064 0.85 GAA (0.44) PTAFRNPC1RAB9ALMNADNMT1
SCHEMBL86897 0.84 DNMT1 (0.42) PTAFRDNMT1RAD52UHRF1MEN1
SCHEMBL87153 0.81 DNMT1 (0.40) PTAFRDNMT1RAD52UHRF1ALDH1A1
SCHEMBL86760 0.81 DNMT1 (0.40) TSHRPTAFRDNMT1RAD52UHRF1
SCHEMBL86894 0.81 SMN1; SMN2 (0.49) TSHRNPC1RAB9ALMNAALDH1A1
SCHEMBL86871 0.81 PIK3CB (0.46) PTAFRNPC1RAB9AHTTDNMT1
SCHEMBL86893 0.80 KCNQ2 (0.49) PTAFRNPC1RAB9AHTTALDH1A1
SCHEMBL87015 0.79 POLB (0.44) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL87099 0.79 PTAFR (0.44) TSHRPTAFRNPC1RAB9ALMNA

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 TSHR 582/4885PTAFR 119/4885NPC1 4109/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 TSHR 3515/4885PTAFR 1757/4885NPC1 757/4885

“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.