SCHEMBL4091456

SCHEMBL4091456

CC(C)N1CC2CC1CN2c1nc(-c2ccnc(NCc3cccs3)c2)cc2nccn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.36
CYP1A2 P05177 12/20 0.36
CYP3A4 P08684 11/20 0.36
CYP2D6 P10635 11/20 0.36
ALDH1A1 P00352 10/20 0.36
CYP2C19 P33261 10/20 0.36
CLK4 Q9HAZ1 10/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
USP2 O75604 4/20 0.36
FLT3 P36888 1/20 0.36
TSHR P16473 5/20 0.36
TP53 P04637 4/20 0.36
MAPK1 P28482 4/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 4/20 0.35
HSD17B10 Q99714 4/20 0.35
MAP3K12 Q12852 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
SCHEMBL4090559 0.88 ACHE (0.37) MAPK14CYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL4090269 0.88 ACHE (0.37) MAPK14CYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL4098900 0.87 MAPK14 (0.36) MAPK14ALDH1A1MEN1KMT2ATSHR
SCHEMBL4094675 0.85 MAPK1 (0.34) MAPK14ALDH1A1KMT2ATP53MAPK1
SCHEMBL13708605 0.85 MAPK1 (0.34) MAPK14ALDH1A1KMT2ATP53MAPK1
SCHEMBL4095535 0.85 ACHE (0.42) MAPK14CYP3A4MEN1KMT2ACYP2C9
SCHEMBL4091458 0.85 ACHE (0.42) MAPK14CYP3A4MEN1KMT2ACYP2C9
SCHEMBL4098877 0.84 CCNT1 (0.40) MAPK14MAP3K12ADORA3ADORA2A
SCHEMBL4084115 0.82 MAP3K12 (0.38) MAPK14MAP3K12SYK
SCHEMBL13708533 0.82 MAP3K12 (0.38) MAPK14MAP3K12SYK

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-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 MAPK14 1220/4885CYP1A2 2889/4885CYP3A4 1954/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK14 964/4885CYP1A2 2605/4885CYP3A4 1797/4885

“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.