SCHEMBL4518229

SCHEMBL4518229

CCOc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)N=C(N)N(C)C2N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.39
FEN1 P39748 9/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
MBOAT4 Q96T53 1/20 0.36
NLRP3 Q96P20 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP19A1 P11511 1/20 0.35
SSTR5 P35346 1/20 0.34
BTK Q06187 1/20 0.34
CTSD P07339 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SCN5A Q14524 1/20 0.33
SCN9A Q15858 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
SCHEMBL4528354 0.89 ALOX5AP (0.39) ALOX5APFEN1CYP11B1CYP11B2CYP19A1
SCHEMBL4525836 0.84 AGPAT2 (0.35) L3MBTL1MAPT
SCHEMBL4524964 0.81 CTSS (0.35) L3MBTL1RXRARXRBRXRGSCN9A
SCHEMBL4528295 0.78 KDM1A (0.32) LMNAMAPTSCN5ASCN9A
SCHEMBL4528908 0.75 TRPA1 (0.44) ALOX5APFEN1SCN5ASCN9A
SCHEMBL4524036 0.74 USP7 (0.33)
SCHEMBL4527945 0.72 SCN9A (0.36) CTSDSCN5ASCN9A
SCHEMBL4527425 0.71 BACE1 (0.42)
SCHEMBL4535530 0.71 DRD1 (0.40) ALOX5APFEN1CTSDSCN9A
SCHEMBL4524489 0.71 AR (0.40) SCN9A

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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US claimed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US claimed

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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 ALOX5AP 3709/4885FEN1 3010/4885L3MBTL1 4442/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 ALOX5AP 3709/4885FEN1 3010/4885L3MBTL1 4442/4885

“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.