SCHEMBL17802492

SCHEMBL17802492

COC(=O)c1cnc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
ALDH1A1 P00352 3/20 0.48
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
SRC P12931 1/20 0.47
SLC2A1 P11166 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 1/20 0.44
CYP2C19 P33261 1/20 0.44
NEK1 Q96PY6 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
GABRA5 P31644 1/20 0.43
IRAK4 Q9NWZ3 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL17802495 0.81 DYRK1A (0.41) CYP11B1CYP11B2ALDH1A1LMNARAB9A
SCHEMBL20375538 0.81 CYP2A6 (0.39) CYP11B1CYP11B2ALDH1A1LMNARAB9A
SCHEMBL17802456 0.79 RAB9A (0.44) ALDH1A1CYP1A2CYP3A4LMNACYP2C19
SCHEMBL17802449 0.78 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4LMNACYP2C19
SCHEMBL17801295 0.77 DYRK1A (0.54) CYP19A1CYP11B1CYP11B2ALDH1A1ABL1
SCHEMBL17802503 0.76 RAB9A (0.49) ALDH1A1CYP1A2CYP3A4LMNACYP2C19
SCHEMBL17802472 0.75 NPC1 (0.52) CYP19A1ALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL17802478 0.75 RAB9A (0.52) CYP19A1CYP11B1CYP11B2ALDH1A1CYP1A2
SCHEMBL21097102 0.74 NPC1 (0.49) ALDH1A1LMNARAB9ANPC1KDM4E
SCHEMBL3226295 0.74 ALDH1A1 (0.65) CYP19A1CYP11B1CYP11B2ALDH1A1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138254-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-27 US disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
EP-3227302-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087373-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087373-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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-10138254-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 CYP19A1 724/4885CYP11B1 349/4885CYP11B2 263/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 CYP19A1 724/4885CYP11B1 349/4885CYP11B2 263/4885

“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.