SCHEMBL3783399

SCHEMBL3783399

CCCc1[nH]c(C(C)C)nc1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.38
PDK4 Q16654 2/20 0.36
KDM4E B2RXH2 2/20 0.30
LMNA P02545 1/20 0.30
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
SCHEMBL3695993 0.83 KDM4E (0.32) KDM4ELMNAHSD17B10
SCHEMBL3696247 0.80 PDK2 (0.31) PDK2KDM4ELMNAHSD17B10
SCHEMBL3707236 0.78 PDK2 (0.30) PDK2
SCHEMBL27807515 0.78 KDM4E (0.31) KDM4ELMNAHSD17B10
SCHEMBL3690726 0.78 KDM4E (0.31) KDM4ELMNAHSD17B10
SCHEMBL3695185 0.74 PDK2 (0.42) PDK2PDK4
SCHEMBL3703117 0.71 PDK2 (0.40) PDK2PDK4
SCHEMBL4751334 0.71 PDK2 (0.45) PDK2PDK4
SCHEMBL8507383 0.69 PDK2 (0.39) PDK2PDK4KDM4E
SCHEMBL11461888 0.69

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-9018387-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-04-28 US disclosed
US-8680289-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-03-25 US disclosed
EP-2580223-A1 COMPLEXES OF IMIDAZOLE LIGANDS Air Products and Chemicals, Inc. (US) 2013-04-17 EP disclosed
US-20130078391-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-03-28 US disclosed
US-20120121806-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-05-17 US disclosed
WO-2011156699-A1 COMPLEXES OF IMIDAZOLE LIGANDS AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-12-15 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-20130078391-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM PDK2 3540/4885PDK4 3662/4885KDM4E 2146/4885
US-20120121806-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM PDK2 3540/4885PDK4 3662/4885KDM4E 2146/4885

“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.