SCHEMBL4970843

SCHEMBL4970843

Clc1nc(Br)nc2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CCR1 P32246 2/20 0.40
CCR8 P51685 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.40
MMP2 P08253 2/20 0.40
TSHR P16473 2/20 0.40
HSP90AA1 P07900 2/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
MMP8 P22894 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL1992034 0.80 LMNA (0.43) MAPTLMNAKDM4ECCR1CCR8
SCHEMBL29907250 0.80 LMNA (0.43) MAPTLMNAKDM4ECCR1CCR8
SCHEMBL24953761 0.77 PRMT5 (0.47) MAPTLMNAKDM4ECCR1CCR8
SCHEMBL24621772 0.77 HRH4 (0.49) MAPTLMNAKDM4ECCR1CCR8
SCHEMBL6833300 0.77 KDM4E (0.40) MAPTLMNAKDM4ECCR1CCR8
SCHEMBL23250572 0.73 CCR1 (0.41) MAPTLMNAKDM4ECCR1CCR8
SCHEMBL23250539 0.73 TOP1 (0.43) MAPTLMNAKDM4ECCR1CCR8
SCHEMBL22428803 0.73 ADORA2A (0.41) MAPTLMNAKDM4ECCR1CCR8
SCHEMBL8945460 0.73 KDM4E (0.40) MAPTLMNAKDM4ECCR1CCR8
SCHEMBL17445466 0.73 TOP1 (0.50) LMNAKDM4EHTTTSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 US disclosed
US-20060194805-A1 Capsaicin receptor agonists NEUROGEN CORPORATION (US) 2006-08-31 US disclosed
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-08-03 US disclosed
EP-1678149-A2 4-AMINO(AZA)QUINOLINE DERIVATIVES AS CAPSAICIN RECEPTOR AGONISTS NEUROGEN CORPORATION (US) 2006-07-12 EP disclosed
US-7074799-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-07-11 US disclosed
WO-2005042498-A2 4-AMINO (AZA) QUINOLINE DERIVATIVES AS CAPSAICIN RECEPTOR AGONISTS NEUROGEN CORPORATION (US) 2005-05-12 WO disclosed
EP-1471910-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN RECEPTORS NEUROGEN CORPORATION (US) 2004-11-03 EP disclosed
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION 2004-06-03 US disclosed
WO-2003062209-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN NEUROGEN CORPORATION (US) 2003-07-31 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 (4 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-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR88 MAPT 3685/4885LMNA 2410/4885KDM4E 2662/4885
US-20060194805-A1 Capsaicin receptor agonists TRPV1, HCAR1, CNR1 MAPT 3305/4885LMNA 2830/4885KDM4E 4170/4885
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 MAPT 3685/4885LMNA 2410/4885KDM4E 2662/4885
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 MAPT 3733/4885LMNA 2476/4885KDM4E 3001/4885

“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.