SCHEMBL6833680

SCHEMBL6833680

Clc1ccc2c(Cl)ncnc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
LMNA P02545 2/20 0.33
IDO1 P14902 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
PMP22 Q01453 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DYRK1A Q13627 1/20 0.31
AXL P30530 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
SELE P16581 1/20 0.31
VCAM1 P19320 1/20 0.31
KMT2A Q03164 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
SCHEMBL6835395 0.79 IDO1 (0.32) IDO1MAPT
SCHEMBL6836394 0.79 EGFR (0.43) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL2797267 0.79 ADORA1 (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL30940150 0.75 EGFR (0.47) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL21339635 0.75 EGFR (0.47) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL13853252 0.75 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL1216985 0.71 IDO1 (0.34) IDO1ALDH1A1
SCHEMBL6832935 0.70 EGFR (0.53) MAPK1DYRK1AMKNK2
SCHEMBL1065478 0.70 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL2023814 0.70 AXL (0.39) LMNAIDO1CYP3A4MAPTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242751-B1 HETEROCYCLIC DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-15 EP disclosed
US-8093243-B2 Inhibit the function of the non-structural proteins (NS5A) BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
US-8093243-B2 Inhibit the function of the non-structural proteins (NS5A) BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 US disclosed
WO-2009102694-A1 HETEROCYCLIC DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 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 (3 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 PDE4A 1394/4885PDE4B 1574/4885PDE4C 1163/4885
US-20090233925-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PDE4A 1915/4885PDE4B 1909/4885PDE4C 1177/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 PDE4A 1394/4885PDE4B 1574/4885PDE4C 1163/4885

“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.