SCHEMBL5447893

SCHEMBL5447893

CCc1cc(C)nc(N2CCC(CO)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.48
▸ HSD17B10 Q99714 7/20 0.48
▸ HPGD P15428 4/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ USP2 O75604 2/20 0.48
▸ ALDH1A1 P00352 6/20 0.44
▸ TSHR P16473 3/20 0.44
▸ GAA P10253 1/20 0.43
▸ SORD Q00796 2/20 0.41
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 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
SCHEMBL5464639 0.84 KDM4E (0.49) KDM4EHSD17B10ALDH1A1TSHRGAA
SCHEMBL15107946 0.79 SORD (0.45) KDM4EHSD17B10HPGDNPSR1USP2
SCHEMBL13033928 0.79 CASP1 (0.47) KDM4EHPGDUSP2ALDH1A1SORD
SCHEMBL27681034 0.78 RBP4 (0.56) KDM4EHSD17B10HPGDNPSR1USP2
SCHEMBL5457627 0.75 ALDH1A1 (0.40) KDM4EHSD17B10ALDH1A1SORD
SCHEMBL15161604 0.72 KDM4E (0.55) KDM4EHSD17B10HPGDNPSR1USP2
SCHEMBL1103982 0.70 MAPK8 (0.47) KDM4EPIK3CAMTOR
SCHEMBL13034556 0.70 KDM4E (0.65) KDM4EHSD17B10HPGDNPSR1USP2
SCHEMBL865813 0.69 PDE10A (0.44) KDM4EHSD17B10HPGDALDH1A1PIK3CA
SCHEMBL23425939 0.68 HRH3 (0.45) PIK3CAMTOR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ASTRAZENECA AB (SE) 2007-11-08 — — US 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-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ARAF, BRAF, RAF1 KDM4E 521/4885HSD17B10 4741/4885HPGD 3441/4885

“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.

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