SCHEMBL405756

SCHEMBL405756

CC(C)c1nn(C)c(Cl)c1C(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 4/20 0.33
CYP2C19 P33261 4/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP3A4 P08684 3/20 0.33
MEN1 O00255 2/20 0.33
MIF P14174 2/20 0.33
PDE5A O76074 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
BLM P54132 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33

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
SCHEMBL406185 0.85 L3MBTL1 (0.41) L3MBTL1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL407056 0.85 L3MBTL1 (0.37) L3MBTL1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL16586280 0.85 L3MBTL1 (0.37) L3MBTL1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL440487 0.84 L3MBTL1 (0.36) L3MBTL1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL406709 0.80 MIF (0.33) ALDH1A1CYP1A2CYP2C19KMT2ACYP2C9
SCHEMBL3180569 0.76 L3MBTL1 (0.45) L3MBTL1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL759605 0.75 L3MBTL1 (0.56) L3MBTL1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL27766644 0.74 KDM4E (0.38) ALDH1A1KMT2AMAPK8LMNASMN1; SMN2
SCHEMBL8442133 0.70 L3MBTL1 (0.41) L3MBTL1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL13784457 0.70 RECQL (0.33) L3MBTL1MAPK8RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9320276-B2 N-hetarylmethyl pyrazolylcarboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-26 US disclosed
US-9232799-B2 N-[(het)arylethyl)] pyrazole(thio)carboxamides and their heterosubstituted analogues BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9206137-B2 N-Aryl pyrazole(thio)carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-9084424-B2 N-benzyl heterocyclic carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-21 US disclosed
US-8999956-B2 N-[(het)arylalkyl)] pyrazole(thio)carboxamides and their heterosubstituted analogues BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-07 US 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
US-20130237500-A1 N-ARYL PYRAZOLE(THIO)CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-12 US disclosed
US-20130225606-A1 N-HETARYLMETHYL PYRAZOLYLCARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
US-20130217727-A1 1-(HETEROCYCLIC CARBONYL)-2-SUBSTITUTED PYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-22 US disclosed
US-20130210864-A1 N-BENZYL HETEROCYCLIC CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20130131119-A1 N-[(HET)ARYLETHYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-23 US disclosed
US-20130079302-A1 N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-28 US disclosed
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2012-03-15 US 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 (9 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-20130217727-A1 1-(HETEROCYCLIC CARBONYL)-2-SUBSTITUTED PYRROLIDINES CBR3, CBR1, HPD L3MBTL1 3627/4885ALDH1A1 1028/4885CYP1A2 28/4885
US-20130225606-A1 N-HETARYLMETHYL PYRAZOLYLCARBOXAMIDES CYP51A1, HDHD5, CYP4Z1 L3MBTL1 4601/4885ALDH1A1 3162/4885CYP1A2 6/4885
US-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 L3MBTL1 2440/4885ALDH1A1 4202/4885CYP1A2 48/4885
US-20130210864-A1 N-BENZYL HETEROCYCLIC CARBOXAMIDES CBR3, AADAC, BROX L3MBTL1 3301/4885ALDH1A1 4040/4885CYP1A2 115/4885
US-20130237500-A1 N-ARYL PYRAZOLE(THIO)CARBOXAMIDES NAT1, NOD1, CBR3 L3MBTL1 3242/4885ALDH1A1 3452/4885CYP1A2 43/4885
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 L3MBTL1 2440/4885ALDH1A1 4202/4885CYP1A2 48/4885
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES CASP5, CTRL, CBR3 L3MBTL1 1962/4885ALDH1A1 4241/4885CYP1A2 57/4885
US-20130079302-A1 N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES HDHD5, CYP51A1, NOD1 L3MBTL1 3681/4885ALDH1A1 2812/4885CYP1A2 12/4885
US-20130131119-A1 N-[(HET)ARYLETHYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES NOD1, CYP51A1, CYP8B1 L3MBTL1 3796/4885ALDH1A1 3251/4885CYP1A2 10/4885

“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.