SCHEMBL4089167

SCHEMBL4089167

CC(C)N1CC2CC1CN2c1nn(-c2ccnc(NCc3ccccc3F)c2)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 5/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HRH4 Q9H3N8 3/20 0.30
BUB1 O43683 2/20 0.30
MAPK14 Q16539 2/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 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
SCHEMBL4094799 0.90 NOS2 (0.38) MEN1KMT2AACHETP53CCNT1
SCHEMBL4094677 0.89 MEN1 (0.36) MEN1KMT2AACHETP53POLB
SCHEMBL4091469 0.85 MAPK14 (0.36) ACHECCNT1HRH4MAPK14MAPK13
SCHEMBL4094561 0.84 KHK (0.38) MEN1KMT2ACCNT1CDK9HRH4
SCHEMBL4089361 0.82 PLK1 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4094807 0.82 PLK1 (0.42)
SCHEMBL4094651 0.82 PLK1 (0.42)
SCHEMBL4084908 0.82 PLK1 (0.42)
SCHEMBL4095076 0.79 NOS2 (0.40) ACHETP53CCNT1CDK9HRH4
SCHEMBL4094568 0.77 NOS2 (0.39) MEN1KMT2AACHETP53CCNT1

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-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US claimed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US claimed
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US disclosed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MEN1 255/4885KMT2A 2985/4885ACHE 2707/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MEN1 344/4885KMT2A 3114/4885ACHE 2633/4885

“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.