SCHEMBL6456703

SCHEMBL6456703

Cc1cc(N[C@H]2CC[C@@H](N)CC2)nc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.75
SMN1; SMN2 Q16637 4/20 0.75
LMNA P02545 2/20 0.75
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
MCHR1 Q99705 1/20 0.51
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
CYP1A2 P05177 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
BACE1 P56817 1/20 0.46
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
MAPKAPK2 P49137 1/20 0.44
POLB P06746 1/20 0.43
ACP1 P24666 1/20 0.43

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
SCHEMBL6459301 1.00 KDM4E (0.75) KDM4ESMN1; SMN2LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL6928682 0.99 KDM4E (0.73) KDM4ESMN1; SMN2LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL6461411 0.99 KDM4E (0.73) KDM4ESMN1; SMN2LMNAKMT2AMEN1
SCHEMBL5943477 0.85 KDM4E (0.74) KDM4ESMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6461755 0.85 KDM4E (0.70) KDM4ESMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6461750 0.85 KDM4E (0.70) KDM4ESMN1; SMN2LMNAKMT2AMEN1
SCHEMBL12277790 0.83 LMNA (0.75) KDM4ESMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6456699 0.83 KDM4E (0.67) KDM4ESMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6456694 0.83 KDM4E (0.67) KDM4ESMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6465613 0.83 MCHR1 (0.53) KDM4ESMN1; SMN2LMNAMCHR1ALDH1A1

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.