Sugi Predict

Sugi Predict / Compounds / SCHEMBL6456641

SCHEMBL6456641

SCHEMBL6456641

COc1cc(NC(=O)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.41
▸ MCHR1 Q99705 4/20 0.41
▸ ADRA2A P08913 3/20 0.41
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CNR1 P21554 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ PTK2 Q05397 2/20 0.38
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ APP P05067 1/20 0.38
▸ HRH1 P35367 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37

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
SCHEMBL6456647 1.00 TP53 (0.41) TP53MCHR1ADRA2AMAPTALDH1A1
SCHEMBL6460456 0.91 THRB (0.42) TP53MAPTALDH1A1POLBKDM4E
SCHEMBL6458641 0.90 SMN1; SMN2 (0.47) TP53MCHR1ADRA2AMAPTALDH1A1
SCHEMBL6458645 0.90 SMN1; SMN2 (0.47) TP53MCHR1ADRA2AMAPTALDH1A1
SCHEMBL6457954 0.89 MAPT (0.38) TP53MCHR1ADRA2AMAPTALDH1A1
SCHEMBL6833719 0.89 MAPT (0.38) TP53MCHR1ADRA2AMAPTALDH1A1
SCHEMBL6876710 0.89 MCHR1 (0.50) MCHR1ADRA2AMAPTPOLBCNR1
SCHEMBL6876707 0.89 MCHR1 (0.50) MCHR1ADRA2AMAPTPOLBCNR1
SCHEMBL6872935 0.87 MCHR1 (0.52) MCHR1ADRA2APOLBCNR1KCNH2
SCHEMBL6872938 0.87 MCHR1 (0.52) MCHR1ADRA2APOLBCNR1KCNH2

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
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 TP53 4482/4885MCHR1 2/4885ADRA2A 117/4885

“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.