SCHEMBL170955

SCHEMBL170955

Cc1nn(C)c(Oc2c(F)cc(C#N)cc2F)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
EGLN2 Q96KS0 3/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1727361 0.83 CYP1A2 (0.32) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL168453 0.81 POLB (0.33) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL173769 0.81 HSD11B1 (0.36) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL169387 0.81 POLB (0.37) POLBEGLN2CYP1A2CYP3A4CYP2C9
SCHEMBL1725765 0.78 CHEK1 (0.42) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL173682 0.75 POLB (0.40) POLBEGLN2
SCHEMBL1724939 0.73 PDE10A (0.41) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1724913 0.72 PDE2A (0.41) POLBCYP1A2
SCHEMBL17514862 0.71 EGLN2 (0.40) EGLN2
SCHEMBL170533 0.70 EGLN2 (0.32) EGLN2

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 11 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
EP-3590340-B1 INTERMEDIATES FOR THE SYNTHESIS OF FUNGICIDAL PYRAZOLES FMC CORP (US) 2023-11-15 EP disclosed
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 POLB 4671/4885EGLN2 2630/4885CYP1A2 27/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 POLB 4671/4885EGLN2 2630/4885CYP1A2 27/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 POLB 4671/4885EGLN2 2630/4885CYP1A2 27/4885

“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.