Sugi Predict

Sugi Predict / Compounds / SCHEMBL6465890

SCHEMBL6465890

SCHEMBL6465890

CC(C)Oc1ccc(CNC[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ CDK4 P11802 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ MCHR1 Q99705 6/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CCNE2 O96020 2/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CCNE1 P24864 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ GAS6 Q14393 1/20 0.35
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 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
SCHEMBL6877562 1.00 ACHE (0.39) ACHEBACE1CDK4GSK3BMCHR1
SCHEMBL6875802 0.89 ACHE (0.48) ACHEBACE1MCHR1DRD2JAK3
SCHEMBL6875798 0.89 ACHE (0.48) ACHEBACE1MCHR1DRD2JAK3
SCHEMBL6876987 0.86 ACHE (0.46) ACHEBACE1MCHR1ADRA2ANPY5R
SCHEMBL6878788 0.86 MCHR1 (0.39) ACHEBACE1MCHR1ADRA2ANPY5R
SCHEMBL6878784 0.86 MCHR1 (0.39) ACHEBACE1MCHR1ADRA2ANPY5R
SCHEMBL6876992 0.86 ACHE (0.46) ACHEBACE1MCHR1ADRA2ANPY5R
SCHEMBL6868799 0.85 ACHE (0.46) ACHEBACE1MCHR1ADRA2ANPY5R
SCHEMBL6868802 0.85 ACHE (0.46) ACHEBACE1MCHR1ADRA2ANPY5R
SCHEMBL6876392 0.84 MCHR1 (0.41) ACHEBACE1MCHR1SMN1; SMN2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 — — US claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 — — WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP 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 (1 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ACHE 197/4885BACE1 228/4885CDK4 382/4885

“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.