SCHEMBL10072150

SCHEMBL10072150

COc1ccc2c(c1)CN(c1ncnc3ccc(I)cc13)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.49
MAPK1 P28482 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2C19 P33261 4/20 0.48
USP2 O75604 3/20 0.48
CLK4 Q9HAZ1 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
CYP2D6 P10635 3/20 0.48
HIF1A Q16665 3/20 0.48
MEN1 O00255 2/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
MTNR1B P49286 2/20 0.47
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45

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 0.83 KDM4E (0.49) MAPK1KDM4EMAPTNPSR1CYP1A2
SCHEMBL4397644 0.77 KDM4E (0.62) MAPK1KDM4EMAPTNPSR1CYP1A2
SCHEMBL2724206 0.76 CYP1A2 (0.47) ENPP1MAPK1KDM4EMAPTNPSR1
SCHEMBL4761441 0.75 KDM1A (0.56) AURKAPDGFRBEGFRKITPDE10A
SCHEMBL31452625 0.74 MTNR1B (0.50) ENPP1MAPK1KDM4EMAPTNPSR1
SCHEMBL5461664 0.74 PDE10A (0.54) AURKAPDGFRBEGFRKITPDE10A
SCHEMBL30734153 0.73 HTT (0.59) KDM4ENPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL2725752 0.73 PDGFRB (0.48) MAPK1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL4406170 0.72 ACHE (0.58) ENPP1PDGFRBEGFRKITPDE10A
SCHEMBL31452546 0.72 MTNR1B (0.52) ENPP1MAPK1KDM4EMAPTNPSR1

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 ENPP1 2515/4885MAPK1 25/4885KDM4E 4345/4885

“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.