SCHEMBL17802479

SCHEMBL17802479

c1cncc(-c2nc3ncc(-n4cccn4)cc3s2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
ALOX5 P09917 1/20 0.38
CYP2A6 P11509 2/20 0.37
DYRK1A Q13627 3/20 0.36
CLK1 P49759 2/20 0.36
CYP19A1 P11511 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AXL P30530 1/20 0.35
PBRM1 Q86U86 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
NLRP3 Q96P20 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL17813170 0.80 NPC1 (0.40) RAB9ANPC1ALOX5CYP2A6HTT
SCHEMBL17802478 0.76 RAB9A (0.52) RAB9ANPC1ALOX5CYP2A6DYRK1A
SCHEMBL17802472 0.76 NPC1 (0.52) RAB9ANPC1ALOX5CYP2A6DYRK1A
SCHEMBL17802458 0.75 NPC1 (0.39) RAB9ANPC1ALOX5CYP2A6DYRK1A
SCHEMBL17802490 0.73 NPC1 (0.40) RAB9ANPC1ALOX5CYP2A6KDM4E
SCHEMBL17802443 0.73 NPC1 (0.39) RAB9ANPC1CYP2A6DYRK1ACLK1
SCHEMBL17802497 0.71 NPC1 (0.47) RAB9ANPC1ALOX5CYP2A6KDM4E
SCHEMBL17802462 0.71 RAB9A (0.47) RAB9ANPC1CYP2A6CYP19A1AXL
SCHEMBL17802499 0.70 NPC1 (0.49) RAB9ANPC1ALOX5CYP2A6CYP19A1
SCHEMBL13734402 0.69 ERCC1 (0.52) CYP2A6CYP19A1AXLMKNK1MKNK2

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 RAB9A 736/4885NPC1 1939/4885ALOX5 2444/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 RAB9A 736/4885NPC1 1939/4885ALOX5 2444/4885

“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.