SCHEMBL4095535

SCHEMBL4095535

CC(C)N1C[C@@H]2C[C@H]1CN2c1nc(-c2ccnc(NCc3cccc4ccccc34)c2)cc2nccn12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK14 Q16539 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
ESR1 P03372 2/20 0.37
AR P10275 1/20 0.35

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
SCHEMBL4091458 1.00 ACHE (0.42) ACHEMEN1KMT2AMAPK14CYP3A4
SCHEMBL4094675 0.90 MAPK1 (0.34) ACHEKMT2AMAPK14
SCHEMBL4090559 0.89 ACHE (0.37) ACHEMEN1KMT2AMAPK14CYP3A4
SCHEMBL4090269 0.89 ACHE (0.37) ACHEMEN1KMT2AMAPK14CYP3A4
SCHEMBL4098877 0.86 CCNT1 (0.40) MAPK14
SCHEMBL4098900 0.85 MAPK14 (0.36) MEN1KMT2AMAPK14
SCHEMBL4091456 0.85 MAPK14 (0.36) MEN1KMT2AMAPK14CYP3A4CYP2C9
SCHEMBL4084081 0.85 IRAK4 (0.41) ACHEMEN1KMT2AMAPK14CYP3A4
SCHEMBL4097183 0.85 IRAK4 (0.41) ACHEMEN1KMT2AMAPK14CYP3A4
SCHEMBL4100701 0.83 ACHE (0.48) ACHEMEN1KMT2ACYP3A4CYP2C9

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-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US claimed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP claimed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US claimed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 WO 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
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 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 (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 ACHE 2707/4885MEN1 255/4885KMT2A 2985/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 ACHE 2633/4885MEN1 344/4885KMT2A 3114/4885

“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.