Sugi Predict

Sugi Predict / Compounds / SCHEMBL173553

SCHEMBL173553

SCHEMBL173553

COc1cc(F)c(-c2c(C)nn(C)c2N)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.47
▸ PDE10A Q9Y233 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ GRM8 O00222 1/20 0.47
▸ GRM7 Q14831 1/20 0.47
▸ MAPT P10636 2/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.38
▸ POLB P06746 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ FPR2 P25090 1/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ CHRM1 P11229 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
SCHEMBL1725188 0.82 MAPT (0.49) MAPTPOLBSMN1; SMN2FPR2PROKR1
SCHEMBL173584 0.81 PDE10A (0.47) PDE2APDE10ACYP1A2GRM8GRM7
SCHEMBL1724657 0.81 PDE2A (0.35) PDE2APDE10ACYP1A2GRM8GRM7
SCHEMBL1724913 0.78 PDE2A (0.41) PDE2APDE10ACYP1A2GRM8GRM7
SCHEMBL20698176 0.77 PDE2A (0.55) PDE2APDE10ACYP1A2GRM8GRM7
SCHEMBL1726326 0.77 MAPT (0.59) MAPTPOLBNPC1HPGDRAB9A
SCHEMBL1726488 0.75 MAPT (0.45) MAPTPOLBFPR2PROKR1MAPK14
SCHEMBL20698000 0.75 PDE2A (0.40) PDE2APDE10ACYP1A2GRM8GRM7
SCHEMBL1724836 0.74 MAPT (0.44) PDE2APDE10ACYP1A2MAPTPOLB
SCHEMBL1724939 0.74 PDE10A (0.41) PDE2APDE10ACYP1A2GRM8GRM7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590340-B1 INTERMEDIATES FOR THE SYNTHESIS OF FUNGICIDAL PYRAZOLES FMC CORP (US) 2023-11-15 — — EP disclosed
US-10448639-B2 Fungicidal pyrazoles FMC CORPORATION (US) 2019-10-22 — — US disclosed
WO-2019020981-A1 PYRAZOLE, ISOTHIAZOLE AND ISOXAZOLE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES REDAG CROP PROTECTION LTD. (GB) 2019-01-31 — — WO 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
WO-2016055801-A2 AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD (GB) 2016-04-14 — — WO disclosed
WO-2016055801-A2 AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD (GB) 2016-04-14 — — WO disclosed
EP-2966063-A1 FUNGICIDAL PYRAZOLES E. I. du Pont de Nemours and Company (US) 2016-01-13 — — EP 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
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
EP-2403834-A1 Fungicidal pyrazoles E. I. du Pont de Nemours and Company (US) 2012-01-11 — — EP 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 PDE2A 2527/4885PDE10A 3393/4885CYP1A2 29/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PDE2A 635/4885PDE10A 1441/4885CYP1A2 27/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PDE2A 635/4885PDE10A 1441/4885CYP1A2 27/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 PDE2A 2527/4885PDE10A 3393/4885CYP1A2 29/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PDE2A 2527/4885PDE10A 3393/4885CYP1A2 29/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PDE2A 635/4885PDE10A 1441/4885CYP1A2 27/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PDE2A 2527/4885PDE10A 3393/4885CYP1A2 29/4885

“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.