SCHEMBL9998142

SCHEMBL9998142

COc1cc(F)c(-c2c(C)nn(C)c2Nc2ccc(F)cc2F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE2A O00408 1/20 0.39
PDE10A Q9Y233 1/20 0.39
GRM8 O00222 1/20 0.39
GRM7 Q14831 1/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK14 Q16539 2/20 0.38
FGFR1 P11362 1/20 0.37

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
SCHEMBL170372 0.90 MAPK1 (0.40) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27212610 0.85 MAPT (0.41) ADORA1MAPTGAAL3MBTL1HTT
SCHEMBL170677 0.84 PDE2A (0.44) ADORA1CYP1A2MAPTPDE2APDE10A
SCHEMBL28165613 0.83 MAPT (0.39) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL20698011 0.79 CYP1A2 (0.43) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27212608 0.79 RAB9A (0.45) MAPTGAAL3MBTL1NPC1RAB9A
SCHEMBL20698000 0.79 PDE2A (0.40) ADORA1CYP1A2MAPTPDE2APDE10A
SCHEMBL20697919 0.79 PDE2A (0.36) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1726288 0.79 PDE2A (0.39) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL23804413 0.79 MAPT (0.39) CYP1A2CYP3A4CYP2C19MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US claimed
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 EP claimed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US claimed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US claimed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 US claimed
US-10448639-B2 Fungicidal pyrazoles FMC CORPORATION (US) 2019-10-22 US disclosed
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US disclosed
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US disclosed
US-9655361-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2017-05-23 US disclosed
US-9596853-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-21 US disclosed
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 EP disclosed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US disclosed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US disclosed
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 US disclosed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US disclosed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US disclosed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 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 (7 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-20110319430-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 ADORA1 1061/4885CYP1A2 29/4885CYP3A4 6/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 ADORA1 661/4885CYP1A2 27/4885CYP3A4 36/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 ADORA1 661/4885CYP1A2 27/4885CYP3A4 36/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 ADORA1 1061/4885CYP1A2 29/4885CYP3A4 6/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 ADORA1 1061/4885CYP1A2 29/4885CYP3A4 6/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 ADORA1 661/4885CYP1A2 27/4885CYP3A4 36/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 ADORA1 1061/4885CYP1A2 29/4885CYP3A4 6/4885

“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.