Sugi Predict

Sugi Predict / Compounds / SCHEMBL6460838

SCHEMBL6460838

SCHEMBL6460838

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)Nc3ccc(Cl)cc3C(F)(F)F)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MCHR1 Q99705 9/20 0.39
▸ ADRA2A P08913 6/20 0.39
▸ HRH1 P35367 3/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ADRA1A P35348 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ GAA P10253 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
SCHEMBL6460846 1.00 MEN1 (0.40) MEN1KMT2ANPSR1NPC1CYP1A2
SCHEMBL6875973 0.90 MCHR1 (0.43) MEN1KMT2ANPSR1NPC1CYP1A2
SCHEMBL6875970 0.90 MCHR1 (0.43) MEN1KMT2ANPSR1NPC1CYP1A2
SCHEMBL6463916 0.90 MCHR1 (0.41) ALDH1A1MCHR1ADRA2AHRH1HTR2B
SCHEMBL6463929 0.90 MCHR1 (0.41) ALDH1A1MCHR1ADRA2AHRH1HTR2B
SCHEMBL6463011 0.89 MCHR1 (0.44) MEN1KMT2ANPSR1NPC1CYP1A2
SCHEMBL6873435 0.89 NPC1 (0.53) MEN1KMT2ANPSR1NPC1CYP1A2
SCHEMBL6873429 0.89 NPC1 (0.53) MEN1KMT2ANPSR1NPC1CYP1A2
SCHEMBL6463008 0.89 MCHR1 (0.44) MEN1KMT2ANPSR1NPC1CYP1A2
SCHEMBL6878191 0.88 TDP1 (0.42) MEN1KMT2ANPSR1NPC1CYP1A2

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-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
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 disclosed
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 MEN1 734/4885KMT2A 693/4885NPSR1 67/4885

“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.