SCHEMBL14488202

SCHEMBL14488202

Cc1cccc2c(Nc3cc(F)cc(F)c3)ncc(CN3CCOCC3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 2/20 0.43
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
EGFR P00533 6/20 0.40
KCNH2 Q12809 1/20 0.40
SYK P43405 2/20 0.39
PIK3CD O00329 1/20 0.38
MOK Q9UQ07 1/20 0.38
TNKS O95271 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TNK2 Q07912 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
HTT P42858 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL12476778 0.91 CNR2 (0.47) EGFRKCNH2ALDH1A1LMNATP53
SCHEMBL12477062 0.90 PDCD1 (0.38) PDCD1CD274EGFRKDM4EALDH1A1
SCHEMBL12697468 0.85 CNR2 (0.51) EGFRKCNH2ALDH1A1LMNATP53
SCHEMBL12476674 0.83 EGFR (0.47) CYP2A13PDCD1CD274EGFRKCNH2
SCHEMBL12476833 0.83 EGFR (0.47) CYP2A13PDCD1CD274EGFRKCNH2
SCHEMBL12476250 0.78 CNR2 (0.54) KDM4ENPSR1CNR2
SCHEMBL12697404 0.76 CYP2A13 (0.52) CYP2A13PDCD1CD274TNKSKDM4E
SCHEMBL12477450 0.75 CNR2 (0.47) EGFRTP53CNR2
SCHEMBL14554526 0.74 EGFR (0.53) EGFRKDM4EALDH1A1LMNATP53
SCHEMBL12501140 0.74 ALDH1A1 (0.43) EGFRMOKKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US claimed
WO-2013005168-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-01-10 WO claimed
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US disclosed
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US disclosed
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US disclosed
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US disclosed
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US disclosed
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US disclosed
WO-2013005168-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-01-10 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 (1 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-20130178457-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 CYP2A13 564/4885PDCD1 4772/4885CD274 4593/4885

“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.