SCHEMBL5657527

SCHEMBL5657527

CC(=O)c1c(C(F)(F)F)nn(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP2C9 P11712 2/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4191354 0.85 CYP1A2 (0.41) CYP1A2CYP2C19ALDH1A1CYP3A4POLB
SCHEMBL10018238 0.84 KDM4E (0.42) CYP1A2CYP2C19ALDH1A1CYP3A4POLB
SCHEMBL4197869 0.84 CYP1A2 (0.46) CYP1A2CYP2C19ALDH1A1CYP3A4POLB
SCHEMBL14209176 0.81 SMN1; SMN2 (0.43) CYP1A2CYP2C19ALDH1A1CYP3A4POLB
SCHEMBL8261356 0.80 MEN1 (0.56) CYP1A2CYP2C19ALDH1A1CYP3A4POLB
SCHEMBL8787277 0.78 KMT2A (0.44) ALDH1A1POLBKMT2ASMN1; SMN2KDM4E
SCHEMBL5655266 0.76 CYP1A2 (0.35) CYP1A2CYP2C19ALDH1A1CYP3A4POLB
SCHEMBL5381188 0.76 CYP1A2 (0.37) CYP1A2CYP2C19ALDH1A1CYP3A4POLB
SCHEMBL335081 0.74 KDM4E (0.60) ALDH1A1POLBKMT2ASMN1; SMN2KDM4E
SCHEMBL13683148 0.74 GAA (0.44) CYP1A2CYP2C19ALDH1A1CYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014083089-A1 TERNARY FUNGICIDAL AND PESTICIDAL MIXTURES BAYER CROPSCIENCE AG (DE) 2014-06-05 WO disclosed
WO-2014082950-A1 TERNARY FUNGICIDAL MIXTURES BAYER CROPSCIENCE AG (DE) 2014-06-05 WO disclosed
US-7238722-B2 process which start from easily obtainable reactants to form pyrazolylalkines, used as chemical intermediates for acaricides and insecticdes LANXESS DEUTSCHLAND GMBH (DE) 2007-07-03 US disclosed
US-20040229929-A1 Pyrazolylalkines LANXESS DEUTSCHLAND GMBH (DE) 2004-11-18 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 (1 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-20040229929-A1 Pyrazolylalkines CX3CR1, PROKR2, BDKRB2 CYP1A2 643/4885CYP2C19 788/4885ALDH1A1 1865/4885

“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.