SCHEMBL13384775

SCHEMBL13384775

Cc1ccc(-n2c(=O)c(C#N)cc3ccc(Br)cc32)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ GAA P10253 6/20 0.40
▸ HPGD P15428 5/20 0.40
▸ TDP2 O95551 5/20 0.40
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP11B2 P19099 1/20 0.35
▸ GLA P06280 4/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ S1PR4 O95977 2/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ LMNA P02545 2/20 0.34

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
SCHEMBL13384791 0.85 KDM4E (0.41) KDM4EALDH1A1GAAHPGDTDP2
SCHEMBL13384773 0.85 TDP2 (0.43) KDM4EALDH1A1GAAHPGDTDP2
SCHEMBL13384798 0.83 KDM4E (0.47) KDM4EALDH1A1GAAHPGDESR1
SCHEMBL13384765 0.83 KDM4E (0.45) KDM4EALDH1A1GAAHPGDTDP2
SCHEMBL13384764 0.79 KDM4E (0.35) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL13384781 0.78 CHEK1 (0.38) KDM4EALDH1A1GAAHPGDTDP2
SCHEMBL13384776 0.78 USP2 (0.46) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL13384751 0.78 USP2 (0.40) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL13384780 0.78 USP2 (0.40) KDM4EALDH1A1GAAHPGDTDP2
SCHEMBL13384788 0.77 PDE4D (0.42) KDM4EALDH1A1GAAHPGDESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087649-A1 QUINOLINONE DERIVATIVES TIBOTEC BVBA (BE) 2010-04-08 — — US disclosed
US-20100087649-A1 QUINOLINONE DERIVATIVES TIBOTEC BVBA (BE) 2010-04-08 — — US disclosed
WO-2008037784-A1 QUINOLINONE DERIVATIVES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-04-03 — — WO 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-20100087649-A1 QUINOLINONE DERIVATIVES CHRM1, CYP2C8, CCR8 KDM4E 2122/4885ALDH1A1 784/4885GAA 3101/4885

“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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