SCHEMBL6467792

SCHEMBL6467792

COc1cc(OC)c(NC(=O)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 4/20 0.43
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.40
ADRA2A P08913 3/20 0.40
MCHR1 Q99705 3/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
CHRNA7 P36544 1/20 0.39
TP53 P04637 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CHEK1 O14757 1/20 0.39

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
SCHEMBL6872085 1.00 KMT2A (0.43) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL7045452 0.90 KMT2A (0.58) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL7045454 0.90 KMT2A (0.58) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL6457825 0.90 ALDH1A1 (0.54) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL6457822 0.90 ALDH1A1 (0.54) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL6832112 0.88 MCHR1 (0.44) KMT2AMAPTALDH1A1HTTADRA2A
SCHEMBL6464817 0.88 MCHR1 (0.44) KMT2AMAPTALDH1A1HTTADRA2A
SCHEMBL6880487 0.88 TP53 (0.45) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL6880492 0.88 TP53 (0.45) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL6458735 0.87 MAPT (0.46) KMT2AMEN1MAPTPOLBLMNA

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

“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.