SCHEMBL6456699

SCHEMBL6456699

Cc1cc(NC2CCC(C(N)=O)CC2)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 1/20 0.67
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MCHR1 Q99705 1/20 0.47
ALDH1A1 P00352 3/20 0.45
RXFP1 Q9HBX9 4/20 0.44
HPGD P15428 1/20 0.44
USP2 O75604 1/20 0.43
BTK Q06187 1/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.42

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
SCHEMBL6456694 1.00 KDM4E (0.67) KDM4ESMN1; SMN2LMNAPDGFRBPDGFRA
Hydrochloric Acid SCHEMBL6461402 0.99 KDM4E (0.65) KDM4ESMN1; SMN2LMNAPDGFRBPDGFRA
Hydrochloric Acid SCHEMBL6461404 0.99 KDM4E (0.65) KDM4ESMN1; SMN2LMNAPDGFRBPDGFRA
SCHEMBL6457199 0.90 KDM4E (0.70) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6463789 0.90 KDM4E (0.70) KDM4ESMN1; SMN2LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6929267 0.84 KDM4E (0.61) KDM4ESMN1; SMN2LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6459226 0.84 MCHR1 (0.48) KDM4ESMN1; SMN2LMNAPDGFRBPDGFRA
Hydrochloric Acid SCHEMBL6459221 0.84 MCHR1 (0.48) KDM4ESMN1; SMN2LMNAPDGFRBPDGFRA
SCHEMBL6456703 0.83 KDM4E (0.75) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6459301 0.83 KDM4E (0.75) KDM4ESMN1; SMN2LMNAMEN1KMT2A

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

“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.