SCHEMBL14217253

SCHEMBL14217253

CC1CCCN(c2ccc(N)c(N)c2C#N)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
HTT P42858 2/20 0.53
GAA P10253 2/20 0.47
CDK8 P49336 1/20 0.43
LRRK2 Q5S007 5/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
JAK3 P52333 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP4K4 O95819 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL14217255 0.82 MAPT (0.51) KDM4EHTTGAACDK8MAPT
SCHEMBL9900637 0.81 MAP4K4 (0.41) KDM4EHTTGAAALDH1A1L3MBTL1
SCHEMBL3119292 0.77 KDM4E (0.52) KDM4EHTTGAALRRK2MAPT
SCHEMBL13403293 0.76 HTT (0.56) KDM4EHTTGAACDK8LRRK2
SCHEMBL5234062 0.74 JAK3 (0.43) KDM4EHTTGAALRRK2MAPT
SCHEMBL23043941 0.72 GAA (0.65) KDM4EHTTGAACDK8LRRK2
SCHEMBL3076827 0.72 GAA (0.65) KDM4EHTTGAACDK8LRRK2
SCHEMBL29978474 0.71 KDM4E (0.70) KDM4EHTTGAACDK8MAPT
SCHEMBL23043583 0.71 KDM4E (0.70) KDM4EHTTGAACDK8MAPT
SCHEMBL23043725 0.70 HTT (0.68) KDM4EHTTGAACDK8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES KDM4E 3184/4885HTT 4371/4885GAA 2008/4885

“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.