SCHEMBL406673

SCHEMBL406673

CNC(=O)c1c(C(C)C)nn(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.33
RIPK1 Q13546 1/20 0.32
ALDH1A1 P00352 5/20 0.32
LMNA P02545 3/20 0.32
TSHR P16473 2/20 0.32
MIF P14174 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
PDE5A O76074 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDE4A P27815 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL406753 0.80 KDM4E (0.41) KDM4ESMN1; SMN2RIPK1ALDH1A1LMNA
SCHEMBL352921 0.78 KDM4E (0.70) BAZ2BKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL26795638 0.69 BAZ2B (0.35) BAZ2BKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL27142090 0.67
SCHEMBL8574213 0.67 BAZ2B (0.50) BAZ2BKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL2737317 0.67 BAZ2B (0.46) BAZ2BSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL17290729 0.66 MIF (0.34) KDM4EALDH1A1TSHRMIFMEN1
SCHEMBL14189821 0.66 BAZ2B (0.67) BAZ2BKDM4EMEN1KMT2AGAA
SCHEMBL13095835 0.66 GAA (0.44) BAZ2BSMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL12368460 0.65 KDM5B (0.31)

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 6 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-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-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 (3 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 BAZ2B 571/4885KDM4E 657/4885SMN1; SMN2 3370/4885
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 BAZ2B 571/4885KDM4E 657/4885SMN1; SMN2 3370/4885
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES CASP5, CTRL, CBR3 BAZ2B 390/4885KDM4E 507/4885SMN1; SMN2 2966/4885

“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.