Sugi Predict

Sugi Predict / Compounds / SCHEMBL419341

SCHEMBL419341

SCHEMBL419341

CN(C)C(=O)c1ccc2nc3n(c2c1)CCN(C1=CC=C1)CC3

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TP53 P04637 4/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BRD4 O60885 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL421073 0.92 TP53 (0.43) L3MBTL1TP53DPP4DPP7LMNA
SCHEMBL419248 0.88 TSHR (0.37) ACSS2TP53NPC1RAB9ATSHR
SCHEMBL422655 0.83 ALDH1A1 (0.43) ACSS2TSHRLMNA
SCHEMBL422764 0.82 LMNA (0.48) TSHRPOLBLMNA
SCHEMBL420166 0.82 ALDH1A1 (0.44) TP53LMNA
SCHEMBL422480 0.81 KMT2A (0.43) TSHR
SCHEMBL422950 0.79 TP53 (0.45) L3MBTL1TP53RAB9AHSD17B10DPP4
SCHEMBL417992 0.78 PDE2A (0.36) NPC1RAB9APOLB
SCHEMBL421612 0.77 ACHE (0.36) NPC1RAB9AHSD17B10POLB
SCHEMBL421303 0.77 KDM4E (0.40) NPC1RAB9AHSD17B10MAPK1

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-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 — — US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 — — US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 — — EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 — — US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 — — WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 — — 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 ACSS2 2012/4885CLK4 1860/4885CYP3A4 3530/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 ACSS2 2012/4885CLK4 1860/4885CYP3A4 3530/4885

“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.