Sugi Predict

Sugi Predict / Compounds / SCHEMBL6458374

SCHEMBL6458374

SCHEMBL6458374

CN(C)c1ccnc(N[C@H]2CC[C@@H](CNC(=O)Nc3c(Cl)cccc3C(F)(F)F)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 9/20 0.45
▸ ADRA2A P08913 2/20 0.42
▸ ADRA1A P35348 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ MAPK14 Q16539 3/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ DGAT1 O75907 2/20 0.36

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
SCHEMBL6458382 1.00 MCHR1 (0.45) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6458476 0.92 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6458463 0.92 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6457490 0.89 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6457480 0.89 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6872389 0.89 CCNC (0.48) MCHR1ADRA2AADRA1AHTR2BL3MBTL1
SCHEMBL6872395 0.89 CCNC (0.48) MCHR1ADRA2AADRA1AHTR2BL3MBTL1
SCHEMBL7114626 0.88 MCHR1 (0.46) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL7114622 0.88 MCHR1 (0.46) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6458072 0.85 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHTR1A

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
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 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
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 MCHR1 2/4885ADRA2A 117/4885ADRA1A 209/4885

“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.