SCHEMBL2725752

SCHEMBL2725752

Ic1ccc2ncnc(N3Cc4ccccc4C3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.48
PTK2 Q05397 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
HTT P42858 3/20 0.45
ALDH1A1 P00352 13/20 0.44
CYP1A2 P05177 13/20 0.44
CYP3A4 P08684 13/20 0.44
CLK4 Q9HAZ1 11/20 0.44
LMNA P02545 11/20 0.44
HIF1A Q16665 10/20 0.44
MAPK1 P28482 10/20 0.44
TSHR P16473 8/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
USP2 O75604 5/20 0.44
CYP2C19 P33261 10/20 0.43
CYP2D6 P10635 6/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL2730641 0.91 KDM4E (0.49) PDGFRBPTK2HRH4HTTALDH1A1
SCHEMBL1585491 0.80 HTT (0.51) PDGFRBPTK2HRH4HTTALDH1A1
SCHEMBL4178072 0.80 PRKDC (0.52) PDGFRBPTK2HRH4HTTALDH1A1
SCHEMBL1734528 0.79 PRKDC (0.53) PDGFRBPTK2HRH4HTTALDH1A1
SCHEMBL2722449 0.77 EGFR (0.63) PDGFRBHTTALDH1A1HSD17B10KDM4E
SCHEMBL6785138 0.77 HTT (0.70) PDGFRBHTTALDH1A1CYP1A2CYP3A4
SCHEMBL2725484 0.75 EGFR (0.55) PDGFRBHTTALDH1A1MAPK1KMT2A
SCHEMBL5468434 0.74 ACHE (0.68)
SCHEMBL10072172 0.74 KDM4E (0.64) PDGFRBHRH4HTTALDH1A1CYP1A2
SCHEMBL10072150 0.73 ENPP1 (0.49) PDGFRBALDH1A1CYP1A2CYP3A4CLK4

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-9006255-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006255-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006255-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
EP-2632923-B1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
EP-2632923-B1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
EP-2632923-A1 QUINAZOLINE DERIVATIVES Merck Patent GmbH (DE) 2013-09-04 EP disclosed
US-20130210819-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
US-20130210819-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
US-20130210819-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
WO-2012055466-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-05-03 WO disclosed
WO-2012055466-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-05-03 WO 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 (1 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-20130210819-A1 QUINAZOLINE DERIVATIVES RAB1A, PIK3R5, PIK3R1 PDGFRB 2288/4885PTK2 996/4885HRH4 1455/4885

“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.