SCHEMBL440745

SCHEMBL440745

Cc1nn(C)c(F)c1C(=O)N(Cc1c(Cl)cccc1C(F)(F)F)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.47
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RORC P51449 10/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 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
SCHEMBL12710364 0.89 GPBAR1 (0.42) GPBAR1MEN1KMT2ARORCRAB9A
SCHEMBL21569309 0.88 GPBAR1 (0.39) GPBAR1MEN1KMT2ARORCRAB9A
SCHEMBL13726383 0.88 GPBAR1 (0.40) GPBAR1MEN1KMT2ARORCRAB9A
SCHEMBL21359674 0.86 GPBAR1 (0.38) GPBAR1MEN1KMT2ARORCRAB9A
SCHEMBL12710323 0.82 GPBAR1 (0.43) GPBAR1MEN1KMT2ARAB9ANPC1
SCHEMBL12710331 0.82 MEN1 (0.44) GPBAR1MEN1KMT2ARAB9ANPC1
SCHEMBL12710355 0.82 NOS3 (0.46) GPBAR1MEN1KMT2A
SCHEMBL12710343 0.80 GPBAR1 (0.40) GPBAR1MEN1KMT2AMAPT
SCHEMBL12710341 0.80 GPBAR1 (0.41) GPBAR1MEN1KMT2ARORCRAB9A
SCHEMBL12710321 0.80 GPBAR1 (0.42) GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3000809-B1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER IP GMBH (DE) 2018-10-31 EP disclosed
US-9695126-B2 Fungicide pyrazole carboxamides derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-07-04 US disclosed
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
US-9398767-B2 Fungicide pyrazole carboxamides derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-26 US disclosed
EP-3000809-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES Bayer Intellectual Property GmbH (DE) 2016-03-30 EP disclosed
EP-2430000-B1 Fungicide pyrazole carboxamide derivates BAYER IP GMBH (DE) 2015-11-04 EP disclosed
US-8772266-B2 Fungicide pyrazole carboxamides derivates BAYER CROPSCIENCE AG (DE) 2014-07-08 US disclosed
US-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AG 2014-05-29 US disclosed
CN-102421757-A Fungicide pyrazole carboxamide derivatives BAYER CROPSCIENCE AG 2012-04-18 CN disclosed
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2012-03-15 US disclosed
US-20110082036-A1 Active Compound Combinations Comprising Arylamidines and N-Cycloalkylamides BAYER CROPSCIENCE AG (DE) 2011-04-07 US disclosed
US-20110082036-A1 Active Compound Combinations Comprising Arylamidines and N-Cycloalkylamides BAYER CROPSCIENCE AG (DE) 2011-04-07 US disclosed
EP-2251331-A1 Fungicide pyrazole carboxamides derivatives Bayer CropScience AG (DE) 2010-11-17 EP 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 (4 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-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 GPBAR1 4515/4885MEN1 2227/4885KMT2A 1882/4885
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 GPBAR1 4515/4885MEN1 2227/4885KMT2A 1882/4885
US-20110082036-A1 Active Compound Combinations Comprising Arylamidines and N-Cycloalkylamides NAT1, NACA, AADAC GPBAR1 4255/4885MEN1 3749/4885KMT2A 1258/4885
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES CASP5, CTRL, CBR3 GPBAR1 4675/4885MEN1 1717/4885KMT2A 1498/4885

“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.