SCHEMBL4178672

SCHEMBL4178672

Clc1nc(Cl)c2ccc(I)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.38
HTT P42858 1/20 0.33
POLB P06746 1/20 0.32
EGFR P00533 1/20 0.31
KDR P35968 1/20 0.31
PRNP P04156 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NR4A2 P43354 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL1069650 0.84 HTT (0.41) APPHTTKDM4EALDH1A1LMNA
SCHEMBL1748521 0.79 POLB (0.50) POLBALDH1A1LMNAMAPTNR4A2
SCHEMBL29909644 0.79 POLB (0.50) POLBALDH1A1LMNAMAPTNR4A2
SCHEMBL1994310 0.76 ACHE (0.42) HTTKDM4EALDH1A1MAPT
SCHEMBL2424537 0.76 HTT (0.53) HTT
SCHEMBL12324551 0.76 HTT (0.33) HTTPOLBKDM4EALDH1A1LMNA
SCHEMBL29487354 0.76 HTT (0.53) HTT
SCHEMBL30013659 0.76 ALDH1A1 (0.49) POLBKDM4EALDH1A1LMNAMAPT
SCHEMBL30014038 0.76 ACHE (0.42) HTTKDM4EALDH1A1MAPT
SCHEMBL183983 0.76 ALDH1A1 (0.49) POLBKDM4EALDH1A1LMNAMAPT

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-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2009-01-01 US disclosed
WO-2008086462-A2 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF β-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2008-07-17 WO 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-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS TCF4, CTNNB1, TCF7 APP 2377/4885HTT 3974/4885POLB 1983/4885

“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.