SCHEMBL2197708

SCHEMBL2197708

C[N]C(=O)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
CHKA P35790 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRNB3 Q05901 1/20 0.45
CHRNA6 Q15825 1/20 0.45
SIGMAR1 Q99720 1/20 0.39
HSD11B1 P28845 1/20 0.38
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
EPHX2 P34913 1/20 0.35
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL564290 0.80 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL1037957 0.80 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL1965663 0.79 CA2 (0.46) CA2CA12CA1CA9CHKA
SCHEMBL967286 0.77
SCHEMBL423782 0.76 CA2 (0.43) CA2CA12CA1CA9CHKA
SCHEMBL965723 0.75 ALDH1A1 (0.48) CA2CHKAHPGDPOLB
SCHEMBL2288243 0.73 CYP1A2 (0.54) HSD11B1POLBEPHX2
SCHEMBL5433 0.72
SCHEMBL603099 0.72
SCHEMBL967471 0.71 SMN1; SMN2 (0.54) CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234400-A1 COMPOUNDS THAT MAINTAIN PLURIPOTENCY OF EMBRYONIC STEM CELLS IRM LLC (BM) 2010-09-16 US claimed
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP claimed
CN-101238129-A Compounds that maintain pluripotency of embryonic stem cells IRM LLC (BM) 2008-08-06 CN claimed
US-7371750-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs IRM LLC (BM) 2008-05-13 US claimed
EP-1899344-A1 COMPOUNDS THAT MAINTAIN PLURIPOTENCY OF EMBRYONIC STEM CELLS IRM, LLC (BM) 2008-03-19 EP claimed
JP-2007500725-A 2007-01-18 JP claimed
WO-2006135824-A1 COMPOUNDS THAT MAINTAIN PLURIPOTENCY OF EMBRYONIC STEM CELLS IRM LLC (BM) 2006-12-21 WO claimed
CN-1860118-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2006-11-08 CN claimed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP claimed
US-20050222177-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-10-06 US claimed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100234400-A1 COMPOUNDS THAT MAINTAIN PLURIPOTENCY OF EMBRYONIC STEM CELLS LIFR, ALPG, BMI1 CA2 4294/4885CA12 1763/4885CA1 1883/4885
US-20050222177-A1 Compounds and compositions as protein kinase inhibitors BMX, FES, FRK CA2 2629/4885CA12 4439/4885CA1 4742/4885

“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.