SCHEMBL6463444

SCHEMBL6463444

Cc1cc(NC2CCC(NC(=O)c3c(F)cccc3F)CC2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MCHR1 Q99705 6/20 0.50
ADRA2A P08913 5/20 0.50
HTR1A P08908 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
HTR2B P41595 1/20 0.48
NPY5R Q15761 1/20 0.48
RXFP1 Q9HBX9 2/20 0.48
SMYD3 Q9H7B4 1/20 0.48
TP53 P04637 3/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6463436 1.00 LMNA (0.59) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL6458550 0.99 LMNA (0.58) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL6458558 0.99 LMNA (0.58) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
SCHEMBL6465642 0.89 MCHR1 (0.63) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
SCHEMBL6465647 0.89 MCHR1 (0.63) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
SCHEMBL6456870 0.89 KDM4E (0.56) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
SCHEMBL6456878 0.89 KDM4E (0.56) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL6462337 0.88 MCHR1 (0.62) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL6462330 0.88 MCHR1 (0.62) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL6463158 0.88 KDM4E (0.55) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A

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 LMNA 3391/4885KDM4E 1190/4885SMN1; SMN2 1477/4885

“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.