SCHEMBL3277404

SCHEMBL3277404

Fc1cccc(Cl)c1-c1c(Cl)cc(-c2nc[nH]n2)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 13/20 0.37
JAK2 O60674 1/20 0.37
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
ORAI1 Q96D31 2/20 0.33
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
PPP1CA P62136 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL3277360 0.83 NR4A2 (0.35) PTGESJAK2ORAI1ALDH1A1
SCHEMBL3276748 0.82 SMN1; SMN2 (0.40) PTGESJAK2HTTSMN1; SMN2LMNA
SCHEMBL3276721 0.82 BTK (0.34) PTGESJAK2SMN1; SMN2LMNAORAI1
SCHEMBL3280715 0.77 CCR1 (0.51) PTGESJAK2HTTSMN1; SMN2LMNA
SCHEMBL3277093 0.73 PTGES (0.40) PTGESJAK2HTTSMN1; SMN2LMNA
SCHEMBL13385407 0.72 CCR1 (0.44) PTGESJAK2HTTSMN1; SMN2LMNA
SCHEMBL13385404 0.72 CYP1A1 (0.39) PTGESALDH1A1
SCHEMBL13385412 0.71 RAB9A (0.43) SMN1; SMN2LMNAMAPK1ALDH1A1NPC1
SCHEMBL14384427 0.70 PTGES (0.38) PTGESJAK2HTTSMN1; SMN2LMNA
SCHEMBL13385408 0.68 PDE2A (0.36) PTGESJAK2HTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695728-B2 2-substituted pyridines, processes for their preparation and their use for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2010-04-13 US disclosed
EP-1761516-B1 2, 4, 5, 6-SUBSTITUTED PYRIMIDINES, METHOD FOR THE PRODUCTION AND USE THEREOF FOR COMBATING PARASITIC FUNGI BASF AG (DE) 2007-11-28 EP disclosed
US-20070259919-A1 2-Substituted Pyridines, Processes for their Preparation and Their Use for Controlling Harmful Fungi BASF AKIENGESELLSCHAFT (DE) 2007-11-08 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 (1 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-20070259919-A1 2-Substituted Pyridines, Processes for their Preparation and Their Use for Controlling Harmful Fungi CYP4X1, CYCS, CYP2S1 PTGES 1926/4885JAK2 2503/4885HTT 3132/4885

“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.