SCHEMBL3753213

SCHEMBL3753213

Clc1cc(-c2ccsc2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ DPP4 P27487 5/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ PDGFRB P09619 2/20 0.41
▸ PDGFRA P16234 2/20 0.41
▸ CYP2A6 P11509 2/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ FYN P06241 1/20 0.37
▸ CYP2E1 P05181 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37

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
SCHEMBL1445790 0.78 MIF (0.56) CHRNA7NPC1DPP4CASP3SENP8
SCHEMBL3826204 0.75 ABL1 (0.44) PDGFRBPDGFRA
SCHEMBL1998033 0.74 HRH4 (0.51) CHRNA7NPC1DPP4CASP3SENP8
SCHEMBL21821109 0.74 MEN1 (0.42) NPC1CASP3SENP8SENP7SENP6
SCHEMBL11157639 0.73 CYP2A6 (0.39) NPC1CASP3SENP8SENP7SENP6
SCHEMBL632053 0.72 ASIC3 (0.59) NPC1HRH4
SCHEMBL21010861 0.72 PDGFRB (0.42) PDGFRBPDGFRACYP2A6CYP2E1CYP2B6
SCHEMBL29392239 0.72 ASIC3 (0.59) NPC1HRH4
SCHEMBL1257940 0.72 KMO (0.58) NPC1DPP4
Hydrochloric Acid SCHEMBL5351409 0.72 CYP2A6 (0.38) NPC1CASP3SENP8SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 — — EP disclosed
US-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 — — US disclosed
US-20090005403-A1 Alkinyl-Oxypyrimidines Used in the Form of Pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-01 — — US disclosed
US-20090005403-A1 Alkinyl-Oxypyrimidines Used in the Form of Pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-01 — — US disclosed
US-20090005403-A1 Alkinyl-Oxypyrimidines Used in the Form of Pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-01 — — US disclosed
CN-101263107-A Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LAB (US) 2008-09-10 — — CN disclosed
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 — — EP disclosed
CN-101137649-A Alkinyl-oxypyrimidine used in the form of pesticides BAYER CROPSCIENCE AG (DE) 2008-03-05 — — CN disclosed
EP-1846398-A1 ALKINYL-OXYPYRIMIDINE USED IN THE FORM OF PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2007-10-24 — — EP disclosed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 — — WO disclosed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 — — US disclosed
WO-2006072426-A1 ALKINYL-OXYPYRIMIDINE USED IN THE FORM OF PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-07-13 — — 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 (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-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CHRNA7 4591/4885NPC1 601/4885DPP4 1/4885
US-20090005403-A1 Alkinyl-Oxypyrimidines Used in the Form of Pesticides ALK, DPYD, DDT CHRNA7 2645/4885NPC1 4696/4885DPP4 421/4885

“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.

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