SCHEMBL4656172

SCHEMBL4656172

COc1c(C#N)cc2ccccc2c1C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
ERN1 O75460 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TACR2 P21452 2/20 0.39
TACR1 P25103 2/20 0.39
TACR3 P29371 2/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38

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
SCHEMBL4656053 0.87 KDM4E (0.51) HPGDKDM4EALDH1A1NPSR1CLK1
SCHEMBL13965487 0.86 CLK1 (0.40) HPGDKDM4EALDH1A1NPSR1CLK1
SCHEMBL6229441 0.86 ALDH1A1 (0.52) HPGDKDM4EALDH1A1NPSR1CLK1
SCHEMBL6606505 0.85 MAPT (0.38) HPGDKDM4EALDH1A1CLK1DYRK1A
SCHEMBL6608246 0.81 KDM4E (0.42) HPGDKDM4EALDH1A1CLK1DYRK1A
SCHEMBL6604677 0.80 CTSD (0.48) HPGDKDM4EALDH1A1NPSR1ERN1
SCHEMBL6602915 0.78 ALDH1A1 (0.46) HPGDKDM4EALDH1A1NPSR1ERN1
SCHEMBL6232565 0.78 CLK1 (0.44) HPGDKDM4EALDH1A1NPSR1CLK1
SCHEMBL6602935 0.78 ALDH1A1 (0.39) HPGDKDM4EALDH1A1CLK1DYRK1A
SCHEMBL4031840 0.78 KDM4E (0.39) HPGDKDM4EALDH1A1CLK1DYRK1A

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549615-B1 NAPHTHAMIDE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1276729-B1 NEW NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2008-07-09 EP disclosed
EP-1276729-B1 NEW NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2008-07-09 EP disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 US disclosed
US-20060241142-A1 Naphthamide derivatives and their use ALEATEL WIRELESS, INC. 2006-10-26 US disclosed
US-6476077-B1 N-(2-phenyl-4-amino-butyl)-1-naphthamides as neurokinin-1 receptor antagonists ASTRAZENECA AB (SE) 2002-11-05 US disclosed
WO-2002012168-A1 NOVEL N-(2-PHENYL-3-AMINOPROPYL)NAPHTAMIDES ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
EP-1169302-A1 N-(2-PHENYL-4-AMINO-BUTYL)-1-NAPHTHAMIDES AS NEUROKININ-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-01-09 EP disclosed
WO-2001077069-A1 NAPHTHAMIDE NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2001-10-18 WO disclosed
WO-2001077089-A1 NEW NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2001-10-18 WO disclosed
EP-1119355-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000059873-A1 N-(2-PHENYL-4-AMINO-BUTYL)-1-NAPHTHAMIDES AS NEUROKININ-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-10-12 WO disclosed
WO-2000020003-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 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-20070021406-A1 New neurokinin antagonists for use as medicaments NPSR1, HRH4, OPRL1 HPGD 1840/4885KDM4E 3617/4885ALDH1A1 2402/4885
US-20060241142-A1 Naphthamide derivatives and their use NPM1, H1-4, H1-3 HPGD 1346/4885KDM4E 2393/4885ALDH1A1 1260/4885

“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.