Sugi Predict

Sugi Predict / Compounds / SCHEMBL4084490

SCHEMBL4084490

SCHEMBL4084490

C[C@H](Nc1cc(-c2cc3nccn3c(N3CC4CC3CN4CCCOc3ccccc3)n2)ccn1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 6/20 0.41
▸ ADRA1D P25100 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ ADRA1B P35368 2/20 0.37
▸ MAPK14 Q16539 11/20 0.37
▸ MAPK13 O15264 3/20 0.37
▸ MAPK12 P53778 3/20 0.37
▸ MAPK11 Q15759 3/20 0.37
▸ PFKFB3 Q16875 1/20 0.37
▸ EGFR P00533 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ MAPK10 P53779 1/20 0.34

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
SCHEMBL13708572 0.96 HTR7 (0.42) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL4084393 0.96 HTR7 (0.42) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL4084391 0.96 HTR7 (0.42) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL4099781 0.92 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL13708563 0.92 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4099784 0.92 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4098938 0.90 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4098943 0.90 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4098856 0.90 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4084897 0.89 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11EGFR

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 5 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 disclosed
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-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 HTR7 699/4885ADRA1D 1940/4885HTR2C 641/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 HTR7 642/4885ADRA1D 1741/4885HTR2C 437/4885

“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.