SCHEMBL1679762

SCHEMBL1679762

Cc1nc(-c2cccnc2)sc1-c1cccc(C#N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
CYP1A2 P05177 3/20 0.46
LMNA P02545 3/20 0.46
CYP2C19 P33261 2/20 0.46
ALOX5 P09917 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2A6 P11509 2/20 0.43
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2B6 P20813 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL1679661 0.81 CYP3A4 (0.49) CYP3A4CYP1A2LMNACYP2C19ALOX5
SCHEMBL1679841 0.80 CYP3A4 (0.48) CYP3A4CYP1A2LMNACYP2C19ALOX5
SCHEMBL12278149 0.78 CYP3A4 (0.60) CYP3A4CYP1A2LMNACYP2C19ALOX5
SCHEMBL4022715 0.78 CYP2A6 (0.57) CYP3A4CYP1A2LMNACYP2A6ALDH1A1
SCHEMBL29699104 0.78 CYP2A6 (0.57) CYP3A4CYP1A2LMNACYP2A6ALDH1A1
SCHEMBL12278291 0.78 MEN1 (0.47) CYP3A4CYP1A2LMNACYP2C19ALOX5
SCHEMBL12278471 0.77 PTGS2 (0.48) CYP3A4CYP1A2LMNACYP2C19ALOX5
SCHEMBL12278230 0.76 CYP2A6 (0.53) CYP3A4CYP1A2LMNACYP2C19ALOX5
SCHEMBL1679844 0.76 CYP3A4 (0.53) CYP3A4CYP1A2LMNACYP2C19ALOX5
SCHEMBL12278335 0.76 ALOX5 (0.45) CYP3A4CYP1A2LMNACYP2C19ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 US disclosed
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 US disclosed
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 US disclosed
EP-2583556-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-01-20 EP disclosed
EP-2583556-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-01-20 EP disclosed
EP-2591674-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-01-13 EP disclosed
EP-2591674-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-01-13 EP disclosed
US-20140336186-A1 Heterocyclic Compounds as Pesticides BAYER CORPSCIENCE AG (DE) 2014-11-13 US disclosed
US-20140336186-A1 Heterocyclic Compounds as Pesticides BAYER CORPSCIENCE AG (DE) 2014-11-13 US disclosed
US-20140336186-A1 Heterocyclic Compounds as Pesticides BAYER CORPSCIENCE AG (DE) 2014-11-13 US disclosed
EP-2583556-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-04-24 EP disclosed
EP-2583557-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-04-24 EP disclosed
EP-2583556-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-04-24 EP disclosed
US-20110212949-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG 2011-09-01 US disclosed
US-20110212949-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG 2011-09-01 US disclosed
US-20110212949-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG 2011-09-01 US disclosed
CN-102159079-A Heterocyclic compounds useful as pesticides BAYER CROPSCIENCE AG 2011-08-17 CN disclosed
EP-2309857-A2 HETEROCYCLIC COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-04-20 EP disclosed
WO-2010006713-A2 HETEROCYCLIC COMPOUNDS USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2010-01-21 WO disclosed
WO-2010006713-A2 HETEROCYCLIC COMPOUNDS USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2010-01-21 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-20110212949-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS CYP3A4 72/4885CYP1A2 73/4885LMNA 2126/4885
US-20140336186-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS CYP3A4 72/4885CYP1A2 73/4885LMNA 2126/4885

“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.