SCHEMBL678010

SCHEMBL678010

c1cnc(-c2cccc(-c3nnc(-c4cccnc4)s3)n2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP19A1 P11511 3/20 0.50
CYP2A6 P11509 4/20 0.49
RAB9A P51151 6/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DCTPP1 Q9H773 1/20 0.44
AXL P30530 1/20 0.44
PBRM1 Q86U86 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 1/20 0.44
HPGDS O60760 2/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL12278657 0.87 KDM4E (0.45) KDM4ESMN1; SMN2CYP19A1CYP2A6RAB9A
SCHEMBL1679720 0.87 KDM4E (0.53) KDM4ESMN1; SMN2CYP19A1CYP2A6RAB9A
SCHEMBL9973695 0.84 CYP2A6 (0.53) KDM4ESMN1; SMN2CYP19A1CYP2A6RAB9A
SCHEMBL2732549 0.83 HPGDS (0.55) KDM4ESMN1; SMN2CYP19A1CYP2A6RAB9A
SCHEMBL29360785 0.82 HPGDS (0.57) KDM4ESMN1; SMN2CYP19A1CYP2A6RAB9A
SCHEMBL252333 0.82 HPGDS (0.57) KDM4ESMN1; SMN2CYP19A1CYP2A6RAB9A
SCHEMBL13989135 0.81 CYP2A6 (0.62) KDM4ESMN1; SMN2CYP19A1CYP2A6RAB9A
SCHEMBL12278667 0.81 KDM4E (0.40) KDM4ESMN1; SMN2CYP19A1RAB9ANPC1
SCHEMBL10181969 0.81 CYP2A6 (0.67) KDM4ESMN1; SMN2CYP19A1CYP2A6RAB9A
SCHEMBL1107870 0.80 CYP2A6 (0.54) KDM4ESMN1; SMN2CYP19A1CYP2A6RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2586311-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-12-14 EP disclosed
EP-2586311-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-12-14 EP 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
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 US disclosed
EP-2583557-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-01-13 EP disclosed
EP-2583557-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
US-20110275583-A1 Synergistic active compound combinations BAYER CROPSCIENCE AG (DE) 2011-11-10 US disclosed
US-20110275583-A1 Synergistic active compound combinations BAYER CROPSCIENCE AG (DE) 2011-11-10 US disclosed
WO-2011134964-A1 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-11-03 WO disclosed
EP-2382865-A1 Synergistic active agent compounds Bayer CropScience AG (DE) 2011-11-02 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
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 (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-20110212949-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS KDM4E 1877/4885SMN1; SMN2 2082/4885CYP19A1 273/4885
US-20140336186-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS KDM4E 1877/4885SMN1; SMN2 2082/4885CYP19A1 273/4885
US-20110275583-A1 Synergistic active compound combinations ACHE, ACAT2, ACAT1 KDM4E 3985/4885SMN1; SMN2 1160/4885CYP19A1 129/4885

“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.