SCHEMBL4031840

SCHEMBL4031840

CCc1c(C#N)cc2ccccc2c1C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
TACR3 P29371 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4657181 0.87 ALDH1A1 (0.51) KDM4EMEN1KMT2AALDH1A1TACR2
SCHEMBL6608065 0.86 KDM4E (0.39) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6603195 0.84 POLB (0.42) KDM4EMEN1KMT2AALDH1A1TACR2
SCHEMBL6608246 0.81 KDM4E (0.42) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6606505 0.80 MAPT (0.38) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6605872 0.78 MEN1 (0.39) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6602935 0.78 ALDH1A1 (0.39) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL4656172 0.78 HPGD (0.43) KDM4EMEN1KMT2AALDH1A1TACR2
SCHEMBL5169185 0.77 CLK1 (0.40) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6604721 0.76 MEN1 (0.37) KDM4EMEN1KMT2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345899-B1 N-substituted amides as NK1 receptor antagonists ASTRAZENECA AB (SE) 2009-01-14 EP disclosed
EP-1549615-B1 NAPHTHAMIDE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20060241142-A1 Naphthamide derivatives and their use ALEATEL WIRELESS, INC. 2006-10-26 US disclosed
US-7064136-B2 Compounds ASTRAZENECA AB (SE) 2006-06-20 US disclosed
EP-1278719-B1 NAPHTHAMIDE NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2005-11-02 EP disclosed
EP-1549615-A1 NAPHTHAMIDE DERIVATIVES AND THEIR USE AstraZeneca AB (SE) 2005-07-06 EP disclosed
US-6903092-B2 Naphthamide neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2005-06-07 US disclosed
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
US-20040058916-A1 Compounds ASTRAZENECA AB (SE) 2004-03-25 US disclosed
WO-2004020411-A1 NAPHTHAMIDE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2004-03-11 WO disclosed
EP-1345899-A1 COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
US-20030158180-A1 Naphthamide neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2003-08-21 US disclosed
EP-1278719-A1 NAPHTHAMIDE NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS AstraZeneca AB (SE) 2003-01-29 EP disclosed
WO-2002051807-A1 COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 WO disclosed
WO-2001077069-A1 NAPHTHAMIDE NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2001-10-18 WO disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP 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 (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-20030158180-A1 Naphthamide neurokinin antagonists for use as medicaments NTSR2, NPPA, NPSR1 KDM4E 4809/4885MEN1 464/4885KMT2A 2698/4885
US-20040058916-A1 Compounds CYP11B2, CYP11B1, PCSK9 KDM4E 4280/4885MEN1 117/4885KMT2A 4358/4885
US-20060241142-A1 Naphthamide derivatives and their use NPM1, H1-4, H1-3 KDM4E 2393/4885MEN1 930/4885KMT2A 979/4885

“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.