SCHEMBL17811799

SCHEMBL17811799

Cc1ccc(NC(=O)c2ccc3nn(-c4cccnc4)cc3c2)cc1[S+]([O-])CC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.42
CSF1R P07333 4/20 0.42
ABL1 P00519 8/20 0.42
BCR P11274 6/20 0.42
MAPK14 Q16539 2/20 0.41
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
RAB9A P51151 2/20 0.40
PDGFRB P09619 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PDGFRA P16234 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
DDR1 Q08345 2/20 0.39
DDR2 Q16832 2/20 0.39
ESYT2 A0FGR8 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
SCHEMBL17802454 0.83 TLR8 (0.39) RIPK2DGAT1CDK4CCNE1
SCHEMBL17802459 0.83 BRAF (0.43) BRAFCSF1RABL1BCRMAPK14
SCHEMBL17802527 0.81 SMN1; SMN2 (0.44) BRAFCSF1RABL1BCRMAPK14
SCHEMBL17802504 0.77 TLR8 (0.39) RIPK2
SCHEMBL17802465 0.76 TLR8 (0.38)
SCHEMBL17812271 0.75 TEK (0.42) BRAFCSF1RRAB9AIRAK4ALDH1A1
SCHEMBL16568895 0.74 DGAT1 (0.47) RAB9AMAOAMAOBIRAK4ALDH1A1
SCHEMBL17803436 0.73 TLR8 (0.38) IRAK4ALDH1A1DGAT1
SCHEMBL19581840 0.72 MAPT (0.48) RAB9AIRAK4ALDH1A1MAPK1NPC1
SCHEMBL20548980 0.72 ADORA3 (0.46) RAB9AALDH1A1MAPK1NPC1MAPT

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
CN-107207466-B Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2020-09-08 CN disclosed
EP-3227274-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2019-07-03 EP disclosed
EP-3227274-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2019-07-03 EP disclosed
US-10131649-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
CN-107207466-A Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2017-09-26 CN disclosed
WO-2016087421-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-10131649-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 BRAF 919/4885CSF1R 4877/4885ABL1 4569/4885
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 BRAF 919/4885CSF1R 4877/4885ABL1 4569/4885

“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.