SCHEMBL6463633

SCHEMBL6463633

Cc1cc(N[C@H]2CC[C@@H](CNC(=O)c3cccnc3Oc3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.49
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
ACACB O00763 2/20 0.44
ACACA Q13085 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL6463630 1.00 MAPK8 (0.49) MAPK8KDM4ELMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6460180 0.99 MAPK8 (0.48) MAPK8KDM4ELMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6460178 0.99 MAPK8 (0.48) MAPK8KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL6463804 0.89 KDM4E (0.51) MAPK8KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL6463808 0.89 KDM4E (0.51) MAPK8KDM4ELMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6461570 0.89 MAPK8 (0.46) MAPK8ALDH1A1GAAACACBACACA
Hydrochloric Acid SCHEMBL6461571 0.89 MAPK8 (0.46) MAPK8ALDH1A1GAAACACBACACA
Hydrochloric Acid SCHEMBL6456402 0.88 KDM4E (0.50) MAPK8KDM4ELMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6456395 0.88 KDM4E (0.50) MAPK8KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL6462604 0.86 MAPK8 (0.50) MAPK8ALDH1A1GAA

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 MAPK8 4019/4885KDM4E 1190/4885LMNA 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.