SCHEMBL14511641

SCHEMBL14511641

COCCNCc1nc(C)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 5/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KCNH3 Q9ULD8 2/20 0.39
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ MAPK14 Q16539 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
SCHEMBL14511643 0.82 TSHR (0.39) KDM4EALDH1A1HPGDMEN1LMNA
SCHEMBL14511645 0.77 TRPV3 (0.40) KDM4EHPGDMAPK14MAPK13MAPK12
SCHEMBL14511644 0.76 HSD17B10 (0.46) KDM4EALDH1A1HPGDL3MBTL1MEN1
SCHEMBL14511652 0.73 ALOX5 (0.42) KDM4EGAAHPGDMAPTMAPK14
SCHEMBL14511697 0.70 MAPT (0.38) MAPTTP53MAPK1MAPK14MAPK13
SCHEMBL5371873 0.66 KDM4E (0.67) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL14705875 0.66 SMN1; SMN2 (0.49) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL2175497 0.64 MAPK14 (0.40) KDM4EGAAHPGDMAPK14MAPK13
SCHEMBL14511640 0.64 ALOX5 (0.51) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL30572485 0.62 AVPR1B (0.47) KDM4EALDH1A1GAAHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 — — US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 — — 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-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 KDM4E 1274/4885ALDH1A1 1875/4885GAA 402/4885

“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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