SCHEMBL17802495

SCHEMBL17802495

COC(=O)c1cnc2nc(-c3cncc(F)c3)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.41
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
PIK3CG P48736 1/20 0.39
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
TNF P01375 1/20 0.39
HPGD P15428 1/20 0.39
NR2F2 P24468 1/20 0.39
HTT P42858 1/20 0.39
MCL1 Q07820 1/20 0.39
KLF5 Q13887 1/20 0.39
NOD1 Q9Y239 1/20 0.39
ATM Q13315 1/20 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
SCHEMBL20375538 0.86 CYP2A6 (0.39) DYRK1ACYP11B1CYP11B2CYP2A6KDM4E
SCHEMBL17802492 0.81 CYP19A1 (0.52) CYP11B1CYP11B2KDM4EMAPTLMNA
SCHEMBL17813172 0.76 DYRK1A (0.52) DYRK1APIK3CGCLK1CLK2DYRK2
SCHEMBL17802450 0.75 APP (0.40) DYRK1ACYP11B2PIK3CGKDM4EMAPT
SCHEMBL21097102 0.74 NPC1 (0.49) PIK3CGCYP2A6KDM4EMAPTKMT2A
SCHEMBL17813221 0.73 DYRK1A (0.36) DYRK1APIK3CGHDAC6
SCHEMBL17802471 0.72 ABL1 (0.47)
SCHEMBL1419312 0.72 ATM (0.65) CYP11B1CYP11B2CYP2A6KDM4EMAPT
SCHEMBL29779611 0.72 ATM (0.65) CYP11B1CYP11B2CYP2A6KDM4EMAPT
SCHEMBL21061808 0.72 NPC1 (0.40) PIK3CGKDM4EMAPTKMT2ASMN1; SMN2

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 DYRK1A 4380/4885CYP11B1 349/4885CYP11B2 263/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 DYRK1A 4380/4885CYP11B1 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.