SCHEMBL2872196

SCHEMBL2872196

NC[C@H]1CCCN1c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.41
FFAR1 O14842 4/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAOA P21397 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIM1 P11309 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL6649685 0.83 CHKA (0.41) CHKAFFAR1MAPTNPSR1HRH3
SCHEMBL14509644 0.82 FFAR1 (0.49) FFAR1
SCHEMBL6958004 0.80 CHKA (0.40) CHKAFFAR1MAPTNPSR1MAOA
SCHEMBL16422833 0.79 FFAR1 (0.43) FFAR1MAPTHRH3LMNATDP1
SCHEMBL16422781 0.79 FFAR1 (0.43) FFAR1MAPTHRH3LMNATDP1
SCHEMBL16422779 0.79 FFAR1 (0.43) FFAR1MAPTHRH3LMNATDP1
SCHEMBL8120916 0.77 FFAR1 (0.44) FFAR1L3MBTL1
SCHEMBL1751544 0.77 FFAR1 (0.48) FFAR1HRH3
SCHEMBL4208284 0.76 PIM1 (0.45) MAPTPIM1CHRNB2CHRNA4
SCHEMBL27504809 0.76 MEN1 (0.48) CHKAFFAR1MAPTNPSR1ALDH1A1

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-8410100-B2 Pteridinone derivatives as PI3-kinases inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 US disclosed
US-8410100-B2 Pteridinone derivatives as PI3-kinases inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 US disclosed
US-8410100-B2 Pteridinone derivatives as PI3-kinases inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 US disclosed
EP-2114945-B1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2010-10-20 EP disclosed
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
EP-2114945-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008092831-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-07 WO disclosed
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP disclosed
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 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 (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-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS PIK3CA, PDPK1, PIK3C3 CHKA 348/4885FFAR1 1942/4885MAPT 4522/4885

“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.