SCHEMBL5205802

SCHEMBL5205802

NCCNc1ccc(C(N)=O)cn1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.60
HCAR3 P49019 5/20 0.54
EPHX2 P34913 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
DPP4 P27487 1/20 0.46

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
SCHEMBL1937770 0.89 HCAR3 (0.57) NNMTHCAR3EPHX2SMN1; SMN2DPP4
SCHEMBL30492154 0.89 NNMT (0.58) NNMTHCAR3EPHX2SMN1; SMN2DPP4
SCHEMBL3562313 0.87 HCAR3 (0.71) HCAR3
SCHEMBL31058294 0.87 HCAR3 (0.71) HCAR3
SCHEMBL13043454 0.83 HCAR3 (0.57) NNMTHCAR3
SCHEMBL12953967 0.81 HCAR3 (0.76) NNMTHCAR3EPHX2
SCHEMBL1680894 0.81 HCAR3 (0.76) NNMTHCAR3EPHX2
SCHEMBL3465091 0.81 NNMT (0.58) NNMTHCAR3EPHX2
SCHEMBL11546416 0.81 HCAR3 (0.73) NNMTHCAR3EPHX2SMN1; SMN2
SCHEMBL6637382 0.79 PRKAB2 (0.56) NNMTHCAR3EPHX2SMN1; SMN2DPP4

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
CN-102020638-B 2-indolinone derivative with protein kinase inhibition activity and histone deacetylase inhibition activity and preparation method and application thereof SHENZHEN CHIPSCREEN BIOSCIENCES LTD 2013-05-08 CN disclosed
CN-102020607-B 6-aminoniacinamide derivatives with histone deacetylase inhibiting activity, preparation method and application thereof SHENZHEN CHIPSCREEN BIOSCIENCES LTD 2013-01-23 CN disclosed
CN-102020607-A 6-aminoniacinamide derivatives with histone deacetylase inhibiting activity, preparation method and application thereof SHENZHEN CHIPSCREEN BIOSCIENCES LTD 2011-04-20 CN disclosed
CN-102020638-A 2-indolinone derivative with protein kinase inhibition activity and histone deacetylase inhibition activity and preparation method and application thereof SHENZHEN CHIPSCREEN BIOSCIENCES LTD 2011-04-20 CN disclosed
CN-100371323-C Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2008-02-27 CN disclosed
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. 2007-05-17 US disclosed
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. 2007-05-17 US disclosed
CN-1298703-C Cyanopyrrolidine Derivatives TAISHO PHARMACENTICAL CO LTD (JP) 2007-02-07 CN disclosed
EP-1746086-A1 Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-01-24 EP disclosed
CN-1772733-A Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2006-05-17 CN disclosed
CN-1715269-A Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2006-01-04 CN disclosed
US-20040072892-A1 Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 US disclosed
CN-1474809-A Cyanopyrrolidine Derivatives ������ҩ��ʽ���� 2004-02-11 CN disclosed
EP-1333025-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2003-08-06 EP disclosed
WO-1998003485-A1 PHENOXYPROPANOLAMINES HAVING β3-ADRENERGIC ANTAGONIST ACTIVITY SANOFI (FR) 1998-01-29 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 (3 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-20040072892-A1 Cyanopyrrolidine derivatives CCR9, OPRD1, CBR1 NNMT 2115/4885HCAR3 251/4885EPHX2 3438/4885
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES DPP4, DPP9, DPP3 NNMT 1109/4885HCAR3 454/4885EPHX2 3743/4885
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES CBR3, CBR1, TERT NNMT 1709/4885HCAR3 708/4885EPHX2 3124/4885

“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.