Sugi Predict

Sugi Predict / Compounds / SCHEMBL4098900

SCHEMBL4098900

SCHEMBL4098900

CC(C)N1CC2CC1CN2c1nc(-c2ccnc(NCc3ccco3)c2)cc2nccn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.36
▸ EED O75530 3/20 0.35
▸ MAP3K12 Q12852 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ KDM4E B2RXH2 7/20 0.33
▸ ALDH1A1 P00352 7/20 0.33
▸ HPGD P15428 6/20 0.33
▸ LMNA P02545 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ PKLR P30613 1/20 0.33
▸ NPSR1 Q6W5P4 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL4090269 0.88 ACHE (0.37) MAPK14MAP3K12SYKKDM4EALDH1A1
SCHEMBL4090559 0.88 ACHE (0.37) MAPK14MAP3K12SYKKDM4EALDH1A1
SCHEMBL4091456 0.87 MAPK14 (0.36) MAPK14MAP3K12SYKKDM4EALDH1A1
SCHEMBL13708605 0.86 MAPK1 (0.34) MAPK14MAP3K12SYKATRKDM4E
SCHEMBL4094675 0.86 MAPK1 (0.34) MAPK14MAP3K12SYKATRKDM4E
SCHEMBL4095535 0.85 ACHE (0.42) MAPK14MEN1KMT2A
SCHEMBL4091458 0.85 ACHE (0.42) MAPK14MEN1KMT2A
SCHEMBL4098877 0.85 CCNT1 (0.40) MAPK14MAP3K12
SCHEMBL4084115 0.83 MAP3K12 (0.38) MAPK14MAP3K12SYKATR
SCHEMBL13708533 0.83 MAP3K12 (0.38) MAPK14MAP3K12SYKATR

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
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 MAPK14 1220/4885EED 4470/4885MAP3K12 397/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK14 964/4885EED 4515/4885MAP3K12 285/4885

“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.