SCHEMBL5236485

SCHEMBL5236485

Cc1nc(Cl)c(N)c(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.51
NR1I2 O75469 1/20 0.51
AHR P35869 1/20 0.51
EGFR P00533 1/20 0.51
KMT2A Q03164 7/20 0.50
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 5/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FFAR2 O15552 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL11003633 0.85 KDR (0.50) KDRNR1I2AHREGFRKMT2A
SCHEMBL13578943 0.84 NR4A1 (0.51) KDREGFRKMT2ANPC1RAB9A
SCHEMBL17802551 0.82 KDR (0.46) KDREGFRKMT2AMEN1ALDH1A1
SCHEMBL13578867 0.80 ROCK1 (0.47) KDREGFRKMT2AMEN1ALDH1A1
SCHEMBL6094657 0.79 NR1I2 (0.36) KDRNR1I2AHREGFRKMT2A
SCHEMBL18000045 0.78 ALDH1A1 (0.46) KDRKMT2ANPC1RAB9ACYP3A4
SCHEMBL13578882 0.77 EGFR (0.42) KDREGFRKMT2ANPC1RAB9A
SCHEMBL13578838 0.77 NPC1 (0.54) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL13578880 0.76 KMT2A (0.43) KDRNR1I2AHREGFRKMT2A
SCHEMBL13578892 0.75 PIK3CA (0.54) KDREGFRKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558615-B8 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PROD INC (US) 2007-10-10 EP disclosed
EP-1558615-B1 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PROD INC (US) 2007-08-29 EP disclosed
EP-1558615-B1 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PROD INC (US) 2007-08-29 EP disclosed
US-7129239-B2 Purine compounds and uses thereof PFIZER INC. (US) 2006-10-31 US disclosed
US-20060241120-A1 Cannabinoid Receptor Ligands and Uses Thereof PFIZER INC 2006-10-26 US disclosed
EP-1558615-A1 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-08-03 EP disclosed
US-20040092520-A1 Purine compounds and uses thereof PFIZER INC. 2004-05-13 US disclosed
WO-2004037823-A1 PURINE COMPOUNDS AND USES THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-05-06 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 (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-20060241120-A1 Cannabinoid Receptor Ligands and Uses Thereof CNR1, CNR2, GPR18 KDR 870/4885NR1I2 211/4885AHR 685/4885
US-20040092520-A1 Purine compounds and uses thereof CNR1, CNR2, P2RY1 KDR 2925/4885NR1I2 475/4885AHR 704/4885

“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.