SCHEMBL170661

SCHEMBL170661

Cc1nn(C)c(Nc2ccc(Cl)cc2F)c1-c1c(F)cc(C#N)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
ERBB2 P04626 1/20 0.39
SRC P12931 1/20 0.39
LMNA P02545 1/20 0.37
TRPM5 Q9NZQ8 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAP3K8 P41279 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NUDT1 P36639 1/20 0.33
SLC34A1 Q06495 2/20 0.32
GRM4 Q14833 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
EPHB2 P29323 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 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
SCHEMBL19972835 0.80 LMNA (0.34) LMNASLC34A1EGLN2AR
SCHEMBL19972838 0.79 LMNA (0.33) LMNASLC34A1EGLN2AR
SCHEMBL173251 0.76 EGLN2 (0.39) LMNASLC34A1EGLN2
SCHEMBL23804495 0.74 RAB9A (0.41) LMNAKMT2AMEN1
SCHEMBL19972834 0.74 LMNA (0.33) LMNAEGLN2
SCHEMBL170154 0.74 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL171014 0.72 EGLN2 (0.36) LMNACYP3A4SLC34A1GRM4EGLN2
SCHEMBL1724972 0.72 SLC34A1 (0.38) LMNASLC34A1AR
SCHEMBL29097233 0.72 PROKR1 (0.35) EGFRTRPM5CYP1A2CYP3A4CYP2C9
SCHEMBL9998142 0.71 ADORA1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US claimed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US claimed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US claimed
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US disclosed
US-9596853-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-21 US disclosed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US disclosed
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 US disclosed
EP-2611296-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US disclosed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 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 (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-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 EGFR 4621/4885ERBB2 4327/4885SRC 1719/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 EGFR 4621/4885ERBB2 4327/4885SRC 1719/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 EGFR 4621/4885ERBB2 4327/4885SRC 1719/4885

“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.