SCHEMBL2674136

SCHEMBL2674136

NCCCN1CCC(O)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
DPP7 Q9UHL4 2/20 0.44
HRH3 Q9Y5N1 6/20 0.42
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTA4H P09960 1/20 0.38
HTR1A P08908 1/20 0.37
KCNA3 P22001 1/20 0.36

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
SCHEMBL12279922 1.00 PDCD1 (0.44) PDCD1CD274DPP7HRH3HRH2
SCHEMBL12280022 1.00 PDCD1 (0.44) PDCD1CD274DPP7HRH3HRH2
Hydrochloric Acid SCHEMBL2673579 0.98 PDCD1 (0.43) PDCD1CD274DPP7HRH3HRH2
SCHEMBL3096566 0.94 DPP7 (0.46) PDCD1CD274DPP7HRH3HRH2
SCHEMBL31719354 0.94 DPP7 (0.46) PDCD1CD274DPP7HRH3HRH2
SCHEMBL3096581 0.94 DPP7 (0.46) PDCD1CD274DPP7HRH3HRH2
SCHEMBL17142474 0.88 HTR1A (0.48) PDCD1CD274DPP7HRH3HRH2
SCHEMBL2297876 0.87 KEAP1 (0.50) DPP7HRH3HRH2HRH1KEAP1
SCHEMBL3899323 0.87
SCHEMBL10064189 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 EP claimed
US-20230265092-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE LIEBER INSTITUTE, INC. 2023-08-24 US disclosed
EP-2539345-B1 4-[CYCLOALKYLOXY(HETERO)ARYLAMINO]-THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2015-07-22 EP disclosed
US-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 EP disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 US disclosed
US-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-06-10 US disclosed
US-7662824-B2 Acylhydrazones as kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2010-02-16 US disclosed
US-7649011-B2 Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction CHEMOCENTRYX, INC. (US) 2010-01-19 US disclosed
US-20070066610-A1 Acylhydrazones as kinase modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2007-03-22 US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 US disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP disclosed
WO-2006101937-A1 ACYLHYDRAZONES AS KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-28 WO disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 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 (5 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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 PDCD1 2046/4885CD274 2604/4885DPP7 1346/4885
US-20230265092-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE POLR2E, POLR2H, POLRMT PDCD1 1338/4885CD274 3601/4885DPP7 1381/4885
US-20070066610-A1 Acylhydrazones as kinase modulators MET, ERBB2, ERBB3 PDCD1 1804/4885CD274 2455/4885DPP7 1464/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 PDCD1 2046/4885CD274 2604/4885DPP7 1346/4885
US-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CCL2, CCR2, CXCR2 PDCD1 1702/4885CD274 755/4885DPP7 3420/4885

“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.