SCHEMBL1870901

SCHEMBL1870901

Cc1nnc(Cl)c(-c2c(F)cccc2Cl)c1-c1ccc(Cl)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.38
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ORAI1 Q96D31 2/20 0.35
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2A6 P11509 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PIK3CD O00329 1/20 0.33
NOTUM Q6P988 1/20 0.32
TP53 P04637 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
SCHEMBL2348112 0.84 NPC1 (0.41) PTGESPDE2APDE10AKDM4ENPSR1
SCHEMBL29366005 0.82 PIK3CD (0.34) PDE10ACYP2A6NPC1RAB9AMEN1
SCHEMBL121151 0.82 PIK3CD (0.34) PDE10ACYP2A6NPC1RAB9AMEN1
SCHEMBL1871032 0.78 PTGES (0.38) PTGESORAI1LMNA
SCHEMBL1873473 0.78 NPC1 (0.37) PDE2APDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL1744858 0.77 CYP2A6 (0.48) PTGESKDM4ECYP2A6NPC1RAB9A
SCHEMBL29369509 0.76 NPC1 (0.44) PDE2APDE10ANPSR1NPC1RAB9A
SCHEMBL69222 0.76 NPC1 (0.44) PDE2APDE10ANPSR1NPC1RAB9A
SCHEMBL13165374 0.76 NPC1 (0.44) PTGESPDE2APDE10AKDM4ENPSR1
SCHEMBL3843013 0.76 PDE2A (0.43) PTGESPDE2APDE10AKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410026-B2 Pyridazine fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-02 US claimed
US-20110112108-A1 PYRIDAZINE FUNGICIDES SYNGENTA CROP PROTECTION AG (US) 2011-05-12 US claimed
CN-101910149-A Pyridazine fungicides SYNGENTA PARTICIPATIONS AG 2010-12-08 CN claimed
EP-2231637-A1 PYRIDAZINE FUNGICIDES Syngenta Participations AG (CH) 2010-09-29 EP claimed
WO-2009090039-A1 PYRIDAZINE FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-23 WO claimed
US-8410026-B2 Pyridazine fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-02 US disclosed
EP-2231637-B1 PYRIDAZINE FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-12-19 EP disclosed
US-20110142802-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, INC. (US) 2011-06-16 US disclosed
US-20110112108-A1 PYRIDAZINE FUNGICIDES SYNGENTA CROP PROTECTION AG (US) 2011-05-12 US disclosed
CN-101910149-A Pyridazine fungicides SYNGENTA PARTICIPATIONS AG 2010-12-08 CN disclosed
EP-2231637-A1 PYRIDAZINE FUNGICIDES Syngenta Participations AG (CH) 2010-09-29 EP disclosed
EP-2229057-A1 FUNGICIDAL COMPOSITIONS Syngenta Participations AG (CH) 2010-09-22 EP disclosed
WO-2009090039-A1 PYRIDAZINE FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-23 WO disclosed
WO-2009090038-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-23 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 (2 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-20110142802-A1 FUNGICIDAL COMPOSITIONS CYP4X1, CYP1B1, CYP4B1 PTGES 4724/4885PDE2A 2444/4885PDE10A 4236/4885
US-20110112108-A1 PYRIDAZINE FUNGICIDES CBR3, CBR1, CYP4Z1 PTGES 4033/4885PDE2A 750/4885PDE10A 2724/4885

“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.