SCHEMBL2197703

SCHEMBL2197703

CC1CNCCN1C([NH])=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
PLD1 Q13393 1/20 0.35
ENPP2 Q13822 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
PAK4 O96013 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR6 P50406 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
KHK P50053 1/20 0.30

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
SCHEMBL27921094 0.83 DPP4 (0.41) DPP4PLD1ENPP2CHRNB2CHRNA3
SCHEMBL28330960 0.83 DPP4 (0.41) DPP4PLD1ENPP2CHRNB2CHRNA3
Hydrochloric Acid SCHEMBL28060473 0.82 DPP4 (0.40) DPP4PLD1ENPP2CHRNB2CHRNA3
SCHEMBL1710523 0.82 DPP4 (0.40) DPP4PLD1ENPP2CHRNB2CHRNA3
SCHEMBL745860 0.82 DPP4 (0.40) DPP4PLD1ENPP2CHRNB2CHRNA3
SCHEMBL2321580 0.82 DPP4 (0.40) DPP4PLD1ENPP2CHRNB2CHRNA3
SCHEMBL2415913 0.82 DPP4 (0.40) DPP4PLD1ENPP2CHRNB2CHRNA3
SCHEMBL747476 0.82 DPP4 (0.40) DPP4PLD1ENPP2CHRNB2CHRNA3
SCHEMBL1502941 0.82 DPP4 (0.40) DPP4PLD1ENPP2CHRNB2CHRNA3
Hydrochloric Acid SCHEMBL3826687 0.80 DPP4 (0.39) DPP4PLD1ENPP2CHRNB2CHRNA3

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530537-B1 Condensed pyrimidine derivatives, their production and use as antitumor agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-01-08 EP claimed
US-5403843-A Pyrrolopyrimidinyalglutaminate derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-04 US claimed
US-5227380-A Topoisomerase I inhibitors RESEARCH TRIANGLE INSTITUTE (US) 1993-07-13 US claimed
EP-0530537-A1 Condensed pyrimidine derivatives, their production and use as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-10 EP claimed
US-5122526-A Toposomerase inhibitors; antitumor agents RESEARCH TRIANGLE INSTITUTE (US) 1992-06-16 US claimed
EP-0436653-A4 SYNTHESIS OF CAMPTOTHECIN AND ANALOGS THEREOF 1992-01-15 EP claimed
EP-0436653-A1 SYNTHESIS OF CAMPTOTHECIN AND ANALOGS THEREOF RESEARCH TRIANGLE INSTITUTE (US) 1991-07-17 EP claimed
US-4981968-A ENZYME INHIBITORS, ANTITUMOR RESEARCH TRIANGLE INSTITUTE (US) 1991-01-01 US claimed
WO-1990003169-A1 SYNTHESIS OF CAMPTOTHECIN AND ANALOGS THEREOF RESEARCH TRIANGLE INSTITUTE (US) 1990-04-05 WO claimed
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 US disclosed
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2012-10-11 US disclosed
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2011-10-27 US disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed
EP-0530537-B1 Condensed pyrimidine derivatives, their production and use as antitumor agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-01-08 EP disclosed
EP-0400562-B1 Pyrrolopyrimidines, their production and use as tumoricidal agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-08-21 EP disclosed
US-5403843-A Pyrrolopyrimidinyalglutaminate derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-04 US disclosed
EP-0530537-A1 Condensed pyrimidine derivatives, their production and use as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-10 EP disclosed
EP-0400562-A1 Pyrrolopyrimidines, their production and use as tumoricidal agents Takeda Chemical Industries, Ltd. (JP) 1990-12-05 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 (4 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-20140350008-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C DPP4 1059/4885PLD1 3123/4885ENPP2 723/4885
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C DPP4 1059/4885PLD1 3123/4885ENPP2 723/4885
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C DPP4 1059/4885PLD1 3123/4885ENPP2 723/4885
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C DPP4 1059/4885PLD1 3123/4885ENPP2 723/4885

“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.