SCHEMBL8737435

SCHEMBL8737435

Cc1nnc(C)c2scnc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
PI4KA P42356 1/20 0.30
PI4K2B Q8TCG2 1/20 0.30
PI4K2A Q9BTU6 1/20 0.30
PI4KB Q9UBF8 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
SCHEMBL8737239 0.80
SCHEMBL12258193 0.74
SCHEMBL24284147 0.73 KDM4E (0.32) KDM4EPKMMEN1ALDH1A1LMNA
SCHEMBL6127824 0.73 KDM4E (0.32) KDM4EPKMMEN1ALDH1A1LMNA
SCHEMBL17755568 0.72 KDM4E (0.33) KDM4EPKMMEN1ALDH1A1LMNA
SCHEMBL24284161 0.69 PI4KA (0.37) LMNAPI4KAPI4K2BPI4K2API4KB
SCHEMBL9606750 0.69
SCHEMBL18876126 0.68 KDM4E (0.31) KDM4EPKMMEN1ALDH1A1LMNA
SCHEMBL10084153 0.67 KDM4E (0.31) KDM4EPKMMEN1ALDH1A1LMNA
SCHEMBL14437971 0.67 KDM4E (0.31) KDM4EPKMMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-8759337-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 US disclosed
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 US 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 (8 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 KDM4E 2892/4885PKM 4149/4885MEN1 3833/4885
US-20120232108-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 KDM4E 2815/4885PKM 3999/4885MEN1 3454/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP KDM4E 3154/4885PKM 3891/4885MEN1 3478/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 KDM4E 2812/4885PKM 3846/4885MEN1 3300/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP KDM4E 3154/4885PKM 3891/4885MEN1 3478/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 KDM4E 2715/4885PKM 2672/4885MEN1 2572/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 KDM4E 2379/4885PKM 2223/4885MEN1 2330/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 KDM4E 2521/4885PKM 3020/4885MEN1 2674/4885

“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.