Sugi Predict

Sugi Predict / Compounds / SCHEMBL3971714

SCHEMBL3971714

SCHEMBL3971714

Cc1cc(N2CCN(C(C)C)CC2)nnc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TLR9 Q9NR96 5/20 0.37
▸ TLR8 Q9NR97 5/20 0.37
▸ TLR7 Q9NYK1 4/20 0.37
▸ CHRNA7 P36544 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ OGA O60502 1/20 0.35

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
SCHEMBL1743217 0.80 HRH3 (0.44) KMT2AHRH3ALDH1A1HPGDCYP1A2
SCHEMBL1741619 0.80 JAK2 (0.42) KMT2AALDH1A1KDM4EMEN1NPC1
SCHEMBL3973481 0.79 GAA (0.45) KMT2AHRH3ALDH1A1MAPK14MEN1
SCHEMBL13648914 0.77 CSNK1D (0.47) KMT2AHRH3HRH4ALDH1A1CSNK1D
SCHEMBL3972252 0.77 MAPT (0.50) KMT2AHRH3HRH4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3971682 0.76 CSNK1D (0.46) KMT2AHRH3HRH4ALDH1A1CSNK1D
SCHEMBL1744444 0.73 HRH3 (0.37) HRH3HRH4ALDH1A1TLR9TLR8
SCHEMBL1742941 0.73 NPC1 (0.42) HRH3KDM4EHSD17B10NPC1RAB9A
SCHEMBL1743016 0.73 HRH3 (0.40) HRH3OGA
SCHEMBL1744089 0.72 CNR2 (0.49) HRH3TLR9TLR8TLR7KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101805298-A Novel aryl-with heteroaryl-piperazine HIGH POINT PHARMACEUTICALS LLC 2010-08-18 — — CN disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 — — US disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 — — US disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 — — US disclosed
CN-1628109-A Novel aryl-and heteroaryl-piperazines NOVO NORDISK AS (DK) 2005-06-15 — — CN disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 — — EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 — — US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 — — 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 KMT2A 301/4885EGFR 992/4885HRH3 1/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 KMT2A 301/4885EGFR 992/4885HRH3 1/4885

“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.