SCHEMBL10084153

SCHEMBL10084153

Cc1nncc2scnc12

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19153010 0.75
SCHEMBL10077956 0.75
SCHEMBL31389647 0.69 KDM4E (0.31) KDM4EPKM
SCHEMBL2347279 0.68 ALDH1A1 (0.35) KDM4EPKMALDH1A1MEN1LMNA
SCHEMBL14437964 0.68 CYP2A6 (0.32) ALDH1A1HSD17B10
SCHEMBL12037021 0.67 MAPT (0.33) KDM4EPKMALDH1A1MEN1LMNA
SCHEMBL14437974 0.67 PI4KA (0.35)
SCHEMBL14437971 0.67 KDM4E (0.31) KDM4EPKMALDH1A1MEN1LMNA
SCHEMBL2444156 0.65
SCHEMBL12037215 0.64 KDM4E (0.33) KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-8575166-B2 Phthalazine-containing antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-20120004234-A1 PHTHALAZINE-CONTAINING ANTIDIABETIC COMPOUNDS SCHERING CORPORATION (US) 2012-01-05 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 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 (4 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-20120004234-A1 PHTHALAZINE-CONTAINING ANTIDIABETIC COMPOUNDS GPR119, FFAR2, FFAR1 KDM4E 2154/4885PKM 2822/4885ALDH1A1 3097/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT KDM4E 3060/4885PKM 413/4885ALDH1A1 2151/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 KDM4E 2379/4885PKM 2223/4885ALDH1A1 3613/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 KDM4E 4314/4885PKM 4672/4885ALDH1A1 1494/4885

“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.