SCHEMBL2116606

SCHEMBL2116606

CCc1nc(C)ncc1O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
PDK2 Q15119 3/20 0.35
PDK4 Q16654 2/20 0.35
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33
GFER P55789 1/20 0.31

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
SCHEMBL2610405 0.85 PDK2 (0.42) KDM4EALDH1A1PDK2PDK4HPGD
SCHEMBL16741140 0.80 JUN (0.41) KDM4EALDH1A1
SCHEMBL2115971 0.79 LMNA (0.49) KDM4EALDH1A1LMNA
SCHEMBL12858177 0.79 NUDT1 (0.36) ALDH1A1PDK2PDK4HPGDLMNA
SCHEMBL2116545 0.78 LMNA (0.40) KDM4EALDH1A1PDK2PDK4HPGD
SCHEMBL23020769 0.77 LMNA (0.41) KDM4EALDH1A1PDK2PDK4LMNA
SCHEMBL31651913 0.76 PDK2 (0.38) ALDH1A1PDK2PDK4HPGDHSD17B10
SCHEMBL10345073 0.75 FOS (0.30)
SCHEMBL15859896 0.74 ALDH1A1 (0.33) ALDH1A1PDK2PDK4HPGDLMNA
SCHEMBL15718403 0.74 GABRP (0.50) KDM4EALDH1A1HPGDLMNAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
CN-103153963-B Cyclopropane compounds EISAI R&D MAN CO LTD 2014-12-24 CN disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
CN-103153963-A Cyclopropane compounds EISAI R&D MAN CO LTD 2013-06-12 CN disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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 (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-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 KDM4E 1932/4885ALDH1A1 2708/4885PDK2 4170/4885

“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.