SCHEMBL2184380

SCHEMBL2184380

Cc1c[c]cc(-c2ccc(C#N)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.50
CYP2A6 P11509 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MMP3 P08254 1/20 0.45
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
HSD11B1 P28845 2/20 0.38
MAP4K4 O95819 1/20 0.38
CYP11B2 P19099 2/20 0.38
PTPN5 P54829 1/20 0.38
KCNH2 Q12809 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MAPKAPK2 P49137 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
SCHEMBL2182665 0.80 CLK4 (0.46) MAP4K4PTPN5
SCHEMBL23873781 0.79 CYP2A6 (0.58) KIF11CYP2A6ALDH1A1MMP3CA12
SCHEMBL15122405 0.79 EGLN2 (0.40) CYP2A6ALDH1A1EGLN2CYP11B2
SCHEMBL2186256 0.78 MMP3 (0.47) KIF11CYP2A6ALDH1A1MMP3CA12
SCHEMBL91813 0.77 CYP2A6 (0.84) KIF11CYP2A6ALDH1A1MMP3CA12
SCHEMBL12377032 0.77 CYP2A6 (0.84) KIF11CYP2A6ALDH1A1MMP3CA12
Water SCHEMBL28512959 0.77 CYP2A6 (0.84) KIF11CYP2A6ALDH1A1MMP3CA12
SCHEMBL11676999 0.76 AHR (0.40) KIF11CYP2A6ALDH1A1
SCHEMBL27565045 0.76 ACHE (0.42) ALDH1A1CA1CA2CA9MAP4K4
SCHEMBL1368022 0.75 ALDH1A1 (0.41) KIF11ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US claimed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP claimed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO claimed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 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-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 KIF11 4426/4885CYP2A6 3205/4885ALDH1A1 3262/4885

“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.