SCHEMBL2730641

SCHEMBL2730641

Ic1ccc2ncnc(N3CCc4ccccc4C3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
MAPT P10636 8/20 0.49
NPSR1 Q6W5P4 6/20 0.49
LMNA P02545 5/20 0.49
HTT P42858 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NR2F2 P24468 2/20 0.49
HIF1A Q16665 2/20 0.49
TSHR P16473 4/20 0.49
HSD17B10 Q99714 3/20 0.49
PDGFRB P09619 1/20 0.47
MAPK1 P28482 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
CYP1A2 P05177 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL2725752 0.91 PDGFRB (0.48) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL10072172 0.85 KDM4E (0.64) KDM4EMAPTNPSR1LMNAHTT
SCHEMBL27761143 0.84 HRH4 (0.61) KDM4EMAPTNPSR1LMNAHTT
SCHEMBL10072150 0.83 ENPP1 (0.49) KDM4EMAPTNPSR1LMNAMEN1
Hydrochloric Acid SCHEMBL9270707 0.82 HRH4 (0.60) KDM4EMAPTNPSR1LMNAHTT
SCHEMBL2722449 0.80 EGFR (0.63) KDM4EMAPTNPSR1HTTHSD17B10
SCHEMBL4178072 0.78 PRKDC (0.52) NPSR1LMNAHTTHIF1ATSHR
SCHEMBL1585491 0.78 HTT (0.51) NPSR1LMNAHTTMEN1KMT2A
SCHEMBL14407961 0.78 HTR7 (0.68) AURKAAURKBHTR7
SCHEMBL3856130 0.77 AKT1 (0.50) KDM4EMAPTNPSR1LMNAHTT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153997-B Quinazoline derivatives MERCK PATENT GMBH 2015-04-29 CN 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
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
CN-103153997-A Quinazoline derivatives MERCK PATENT GMBH 2013-06-12 CN 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 KDM4E 4345/4885MAPT 3452/4885NPSR1 3255/4885

“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.