SCHEMBL12279462

SCHEMBL12279462

CCOc1ccc(-c2cc(-c3cccnc3)nn2C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.44
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ CYP2A6 P11509 4/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2E1 P05181 2/20 0.44
▸ CYP2B6 P20813 2/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ ELOVL1 Q9BW60 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ FYN P06241 2/20 0.40
▸ GRM2 Q14416 1/20 0.40

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
SCHEMBL12279466 0.88 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2CYP2A6CYP2C9
SCHEMBL12279439 0.83 CYP2A6 (0.54) CYP19A1CYP2A6CYP2C9CYP2C19CYP3A4
SCHEMBL26847613 0.77 CYP19A1 (0.45) CYP19A1ALDH1A1KDM4EHPGDNPSR1
SCHEMBL24419697 0.74 POLB (0.47) CYP19A1CYP11B1CYP11B2CYP2A6CYP2C9
SCHEMBL27114058 0.73 PKM (0.49) CYP2A6CYP2C9CYP2C19CYP3A4CYP2E1
SCHEMBL28049612 0.73 CYP2A6 (0.57) CYP2A6CYP2C9CYP2C19CYP3A4CYP2E1
SCHEMBL12279420 0.72 CYP2A6 (0.46) CYP19A1CYP11B1CYP11B2CYP2A6CYP2C9
SCHEMBL24419798 0.71 FYN (0.43) CYP19A1CYP11B1CYP11B2CYP2A6CYP2C9
SCHEMBL12278118 0.71 CYP2A6 (0.44) CYP19A1CYP2A6CYP2C9CYP2C19CYP3A4
SCHEMBL17375118 0.71 FAAH (0.52) ALDH1A1KDM4EHPGDNPSR1HSD17B10

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
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-2586312-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-04-27 — — 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-8809547-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2014-08-19 — — US disclosed
US-8809547-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2014-08-19 — — US disclosed
EP-2591674-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-05-15 — — EP disclosed
EP-2586312-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-05-01 — — EP disclosed
EP-2586311-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-05-01 — — EP 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
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
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 CYP19A1 273/4885CYP11B1 129/4885CYP11B2 119/4885
US-20140336186-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS CYP19A1 273/4885CYP11B1 129/4885CYP11B2 119/4885

“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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