SCHEMBL2976387

SCHEMBL2976387

CC(C)(C)[Si](C)(C)OC1CCCN(c2ccc(C(F)(F)F)cc2N)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.42
LIPG Q9Y5X9 14/20 0.40
PKM P14618 1/20 0.39
LIPC P11150 3/20 0.38
LPL P06858 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2976381 1.00 KDM4E (0.48) KDM4ELMNAALDH1A1HTTLIPG
SCHEMBL23851443 0.84 KDM4E (0.51) KDM4ELMNAALDH1A1HTTLIPG
SCHEMBL2976220 0.83 LMNA (0.63) KDM4ELMNAALDH1A1HTTMEN1
SCHEMBL2976224 0.83 LMNA (0.63) KDM4ELMNAALDH1A1HTTMEN1
SCHEMBL4435998 0.79 MAPT (0.40) KDM4EHTT
SCHEMBL11907738 0.79 MAPT (0.40) KDM4EHTT
SCHEMBL4555535 0.79 MAPT (0.40) KDM4EHTT
SCHEMBL23850727 0.76 ALDH1A1 (0.56) KDM4ELMNAALDH1A1HTTLIPG
SCHEMBL13315593 0.76 KDM4E (0.56) KDM4ELMNAALDH1A1HTTPKM
SCHEMBL23850724 0.76 ALDH1A1 (0.56) KDM4ELMNAALDH1A1HTTLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US disclosed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 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-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 KDM4E 1696/4885LMNA 1665/4885ALDH1A1 870/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 KDM4E 1696/4885LMNA 1665/4885ALDH1A1 870/4885

“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.