SCHEMBL4524964

SCHEMBL4524964

CCOc1cccc(C(F)(F)F)c1-c1ccc2c(c1)N=C(N)N(C)C2N

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.35
CTSK P43235 5/20 0.34
S1PR1 P21453 3/20 0.34
SCN9A Q15858 2/20 0.34
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
TRPA1 O75762 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
GRM2 Q14416 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DHFR P00374 1/20 0.31

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
SCHEMBL4524489 0.89 AR (0.40) CTSSCTSKS1PR1SCN9AHTR2A
SCHEMBL4527945 0.87 SCN9A (0.36) SCN9AHTR2AHTR2CHTR2BTRPA1
SCHEMBL4523947 0.83 TRPA1 (0.42) SCN9AHTR2AHTR2CHTR2BTRPA1
SCHEMBL4384579 0.82 PTPN1 (0.37) CTSSCTSKS1PR1SCN9AKCNK3
SCHEMBL4531452 0.82 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL4518229 0.81 ALOX5AP (0.39) SCN9ARXRARXRBRXRGL3MBTL1
SCHEMBL4535079 0.81 PTPN1 (0.37) SCN9AHTR2AHTR2CHTR2B
SCHEMBL4514041 0.79 NR1H2 (0.38) SCN9AHTR2AHTR2CHTR2B
SCHEMBL4528908 0.79 TRPA1 (0.44) SCN9ATRPA1
SCHEMBL4533710 0.78 PTPN1 (0.41) SCN9AHTR2AHTR2CHTR2B

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 CTSS 3488/4885CTSK 2430/4885S1PR1 4358/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 CTSS 3488/4885CTSK 2430/4885S1PR1 4358/4885

“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.