SCHEMBL2371923

SCHEMBL2371923

NC(=O)C1CCC(Nc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
TSHR P16473 1/20 0.52
GAA P10253 4/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.43
BTK Q06187 2/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GSK3B P49841 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLA P06280 1/20 0.41
SYK P43405 1/20 0.40

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
SCHEMBL2402688 1.00 KDM4E (0.54) KDM4ETSHRGAAMAPTMEN1
SCHEMBL21227809 0.85 KDM4E (0.49) KDM4ETSHRGAAMAPTMEN1
Acetamide SCHEMBL2346344 0.85 NAPRT (0.45) KDM4ETSHRGAAMAPTGFER
SCHEMBL2371606 0.85 GAA (0.50) GAAMAPTMEN1GFERKMT2A
SCHEMBL4076981 0.85 GAA (0.50) GAAMAPTMEN1GFERKMT2A
Hydrochloric Acid SCHEMBL2400195 0.84 GAA (0.49) GAAMAPTMEN1GFERKMT2A
Hydrochloric Acid SCHEMBL2400192 0.84 GAA (0.49) GAAMAPTMEN1GFERKMT2A
SCHEMBL2400950 0.83 ROCK2 (0.44) KDM4ETSHRLMNABTKGLA
SCHEMBL2400953 0.83 ROCK2 (0.44) KDM4ETSHRLMNABTKGLA
SCHEMBL236978 0.80 CARM1 (0.52) KDM4ETSHRGAAMAPTMEN1

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-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
EP-2545037-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2013-01-16 EP disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US disclosed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 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 (3 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 KDM4E 2183/4885TSHR 2738/4885GAA 1543/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 KDM4E 2183/4885TSHR 2738/4885GAA 1543/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 KDM4E 2183/4885TSHR 2738/4885GAA 1543/4885

“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.