SCHEMBL4097208

SCHEMBL4097208

CC(C)N1C[C@@H]2C[C@H]1CN2c1nc(-c2ccnc(N[C@@H](C)c3ccccc3)c2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.44
PRKCI P41743 2/20 0.44
MAPK13 O15264 4/20 0.42
MAPK12 P53778 4/20 0.42
MAPK11 Q15759 4/20 0.42
PRKD1 Q15139 1/20 0.42
RAF1 P04049 2/20 0.40
MAPK9 P45984 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL4097210 1.00 MAPK14 (0.44) MAPK14PRKCIMAPK13MAPK12MAPK11
SCHEMBL13708624 1.00 MAPK14 (0.44) MAPK14PRKCIMAPK13MAPK12MAPK11
SCHEMBL4090541 0.90 MAPK14 (0.45) MAPK14PRKCIMAPK13MAPK12MAPK11
SCHEMBL4090555 0.90 MAPK14 (0.45) MAPK14PRKCIMAPK13MAPK12MAPK11
SCHEMBL4095008 0.90 MAPK14 (0.45) MAPK14PRKCIMAPK13MAPK12MAPK11
SCHEMBL4095020 0.90 MAPK14 (0.45) MAPK14PRKCIMAPK13MAPK12MAPK11
SCHEMBL4090545 0.90 MAPK14 (0.45) MAPK14PRKCIMAPK13MAPK12MAPK11
SCHEMBL13708622 0.88 MAPK14 (0.43) MAPK14PRKCIMAPK13MAPK12MAPK11
SCHEMBL4095599 0.88 MAPK14 (0.43) MAPK14PRKCIMAPK13MAPK12MAPK11
SCHEMBL4095602 0.88 MAPK14 (0.43) MAPK14PRKCIMAPK13MAPK12MAPK11

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
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 1220/4885PRKCI 22/4885MAPK13 300/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK14 964/4885PRKCI 25/4885MAPK13 321/4885

“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.