SCHEMBL6457223

SCHEMBL6457223

CN(C)c1ccnc(NC2CCC(NC(=O)Cc3sc(-c4ccccc4)nc3-c3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ PTGDR2 Q9Y5Y4 13/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.44
▸ PLA2G1B P04054 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ ADRA2A P08913 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ POLB P06746 1/20 0.41

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
SCHEMBL6457220 1.00 KMT2A (0.52) KMT2AMAPTMEN1SMN1; SMN2PTGDR2
SCHEMBL13792943 0.83 MCHR1 (0.55) KMT2AMAPTMEN1SMN1; SMN2PTGDR2
SCHEMBL6879858 0.81 LMNA (0.57) ADRA2AADRA1AHRH1HTR2BMCHR1
SCHEMBL6879853 0.81 LMNA (0.57) ADRA2AADRA1AHRH1HTR2BMCHR1
SCHEMBL6457105 0.81 MAPK8 (0.42) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL6457115 0.81 MAPK8 (0.42) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL6872968 0.81 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2PTGDR2
SCHEMBL6872967 0.81 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2PTGDR2
SCHEMBL6874044 0.80 AURKA (0.50) KMT2AMEN1ALDH1A1CYP2C9ADRA2A
SCHEMBL6874037 0.80 AURKA (0.50) KMT2AMEN1ALDH1A1CYP2C9ADRA2A

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 6 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
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 KMT2A 693/4885MAPT 517/4885MEN1 734/4885

“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.

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