Sugi Predict

Sugi Predict / Compounds / SCHEMBL6895849

SCHEMBL6895849

SCHEMBL6895849

c1cn2cc(-c3ccc4c(c3)nc3n4CCCN4CCCC[C@H]4C3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.39
▸ FAAH O00519 1/20 0.38
▸ CPT2 P23786 1/20 0.37
▸ CPT1A P50416 1/20 0.37
▸ CPT1B Q92523 1/20 0.37
▸ TRIM33 Q9UPN9 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ TRIM24 O15164 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 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
SCHEMBL6893867 1.00 DYRK1A (0.39) DYRK1AFAAHCPT2CPT1ACPT1B
SCHEMBL6893991 1.00 DYRK1A (0.39) DYRK1AFAAHCPT2CPT1ACPT1B
SCHEMBL6893796 0.97 DYRK1A (0.40) DYRK1AFAAHCPT2CPT1ACPT1B
SCHEMBL6893794 0.97 DYRK1A (0.40) DYRK1AFAAHCPT2CPT1ACPT1B
SCHEMBL6896123 0.97 DYRK1A (0.40) DYRK1AFAAHCPT2CPT1ACPT1B
SCHEMBL6895923 0.96 MAPT (0.39) DYRK1AFAAHCPT2CPT1ACPT1B
SCHEMBL6893765 0.96 MAPT (0.39) DYRK1AFAAHCPT2CPT1ACPT1B
SCHEMBL6895219 0.96 MAPT (0.39) DYRK1AFAAHCPT2CPT1ACPT1B
SCHEMBL6895811 0.93 DYRK1A (0.40) DYRK1AFAAHCPT2CPT1ACPT1B
SCHEMBL6893939 0.93 DYRK1A (0.40) DYRK1AFAAHCPT2CPT1ACPT1B

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-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 — — US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 — — US disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 — — WO disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 — — WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 — — US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 — — 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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 DYRK1A 1227/4885FAAH 246/4885CPT2 2832/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 DYRK1A 1227/4885FAAH 246/4885CPT2 2832/4885

“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.