SCHEMBL22357751

SCHEMBL22357751

Cc1cccc(F)c1-c1nnc(-c2c(F)cccc2Cl)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.42
PDE10A Q9Y233 1/20 0.42
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ACHE P22303 1/20 0.39
PTGES O14684 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
GAA P10253 1/20 0.38
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
SRC P12931 1/20 0.37
JAK2 O60674 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL22357734 0.96 PDE2A (0.42) PDE2APDE10ALMNAHTTSMN1; SMN2
SCHEMBL18939806 0.89 ACHE (0.48) LMNASMN1; SMN2ALDH1A1ACHEGAA
SCHEMBL18938467 0.89 LMNA (0.44) PDE2APDE10ALMNAHTTSMN1; SMN2
SCHEMBL18938480 0.87 LMNA (0.43) PDE2APDE10ALMNAHTTSMN1; SMN2
SCHEMBL22357674 0.85 SRC (0.42) PDE2ALMNASMN1; SMN2ALDH1A1GAA
SCHEMBL18940048 0.79 LMNA (0.38) PDE2APDE10ALMNAHTTSMN1; SMN2
SCHEMBL18938806 0.79 NPC1 (0.50) LMNASMN1; SMN2MAPK1ALDH1A1ACHE
SCHEMBL22357795 0.79 ACHE (0.39) SMN1; SMN2ACHEGAA
SCHEMBL18920600 0.79 PTGES (0.43) PDE2APDE10ALMNAHTTSMN1; SMN2
SCHEMBL18920586 0.79 SMN1; SMN2 (0.41) PDE2APDE10ALMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200262799-A1 PROCESS FOR PREPARING FUNCTIONALIZED 1,2,4,5-TETRAZINE COMPOUNDS UNIVERSITE DE BOURGOGNE (FR) 2020-08-20 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-20200262799-A1 PROCESS FOR PREPARING FUNCTIONALIZED 1,2,4,5-TETRAZINE COMPOUNDS CYP4Z1, CYP4F12, CYP3A5 PDE2A 3950/4885PDE10A 4218/4885LMNA 2921/4885

“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.