SCHEMBL10072046

SCHEMBL10072046

Ic1ccc2ncnc(N3CCOc4ccccc43)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.42
PTK2 Q05397 1/20 0.41
EGFR P00533 4/20 0.41
PDGFRB P09619 2/20 0.40
CYP2C19 P33261 7/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPK1 P28482 6/20 0.40
HIF1A Q16665 6/20 0.40
CLK4 Q9HAZ1 6/20 0.40
TSHR P16473 4/20 0.40
CSF1R P07333 1/20 0.40
PIK3CA P42336 2/20 0.39
PIK3R1 P27986 1/20 0.39
MTOR P42345 1/20 0.39
CYP1A2 P05177 7/20 0.38
CYP3A4 P08684 7/20 0.38
LMNA P02545 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 2/20 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
SCHEMBL10072044 0.87 EGFR (0.44) NUDT1PTK2EGFRPDGFRBCYP2C19
SCHEMBL2722449 0.79 EGFR (0.63) EGFRPDGFRBALDH1A1CSF1RHSD17B10
SCHEMBL2725484 0.77 EGFR (0.55) EGFRPDGFRBALDH1A1MAPK1CSF1R
SCHEMBL25888835 0.70 NOTUM (0.44) NUDT1TSHRPIK3CACYP1A2LMNA
SCHEMBL1585491 0.69 HTT (0.51) PTK2PDGFRBCYP2C19ALDH1A1MAPK1
SCHEMBL4178072 0.69 PRKDC (0.52) PTK2PDGFRBCYP2C19ALDH1A1MAPK1
SCHEMBL3805071 0.69 LMNA (0.54) ALDH1A1MAPK1TSHRLMNAMEN1
SCHEMBL2725752 0.69 PDGFRB (0.48) PTK2PDGFRBCYP2C19ALDH1A1MAPK1
SCHEMBL1734528 0.68 PRKDC (0.53) PTK2PDGFRBCYP2C19ALDH1A1MAPK1
SCHEMBL2730641 0.67 KDM4E (0.49) PTK2PDGFRBCYP2C19ALDH1A1MAPK1

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 8 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
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

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 NUDT1 2669/4885PTK2 996/4885EGFR 2305/4885

“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.