SCHEMBL173492

SCHEMBL173492

COc1ccc(-c2c(C)nn(C)c2Nc2c(C)cccc2Br)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.41
POLB P06746 2/20 0.38
IGF1R P08069 2/20 0.36
LCK P06239 2/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ADORA1 P30542 2/20 0.35
ALDH1A1 P00352 1/20 0.34
SRC P12931 1/20 0.33
CXCR2 P25025 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
SCHEMBL170521 0.91 LCK (0.44) CRHR1POLBIGF1RLCKTP53
SCHEMBL173247 0.90 CRHR1 (0.40) CRHR1POLBIGF1RGAAADORA1
SCHEMBL170536 0.88 POLB (0.38) POLBTP53GAAMAPTADORA1
SCHEMBL170970 0.85 HSD11B1 (0.39) IGF1RLCKGAAMAPT
SCHEMBL169854 0.82 LCK (0.42) CRHR1POLBLCKTP53GAA
SCHEMBL173457 0.80 POLB (0.39) POLBGAAMAPTADORA1
SCHEMBL171023 0.78 POLB (0.40) POLBTP53GAAMAPTADORA1
SCHEMBL175883 0.78 MAPT (0.35) LCKTP53MAPTADORA1
SCHEMBL168600 0.77 HSD11B1 (0.42) IGF1RLCKTP53GAAMAPT
SCHEMBL173254 0.77 HSD11B1 (0.39) IGF1RCXCR2

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 CRHR1 3969/4885POLB 4671/4885IGF1R 1109/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 CRHR1 3969/4885POLB 4671/4885IGF1R 1109/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 CRHR1 3969/4885POLB 4671/4885IGF1R 1109/4885

“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.