SCHEMBL5111720

SCHEMBL5111720

CC1CN(c2cccc(F)c2)C=N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
BPTF Q12830 1/20 0.39
KEAP1 Q14145 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOTUM Q6P988 1/20 0.37
FADS1 O60427 1/20 0.37
NFE2L2 Q16236 1/20 0.36
PRKCZ Q05513 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL10734188 0.88 ALOX5 (0.30) ALOX5MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9861020 0.79 L3MBTL1 (0.38) ALOX5BPTFMEN1KMT2AL3MBTL1
SCHEMBL22765656 0.67 BPTF (0.48) ALOX5BPTFFAAHMGLLMEN1
SCHEMBL11063972 0.66 ALOX5 (0.42) ALOX5BPTFKEAP1MEN1KMT2A
SCHEMBL4679699 0.66 MEN1 (0.41) ALOX5BPTFKEAP1FAAHMGLL
SCHEMBL28115962 0.65 KEAP1 (0.38) ALOX5KEAP1FAAHMGLLMEN1
SCHEMBL13035710 0.65 BPTF (0.56) ALOX5BPTFMEN1KMT2AMAPT
SCHEMBL13317189 0.64 PIK3CD (0.48)
SCHEMBL10210501 0.64 PIK3CD (0.44) ALOX5BPTFFAAHMGLLFADS1
SCHEMBL26256372 0.63 BPTF (0.51) ALOX5BPTFKEAP1FAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 US disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 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-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 ALOX5 1137/4885BPTF 3882/4885KEAP1 1326/4885

“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.