SCHEMBL5313945

SCHEMBL5313945

CSc1nccc(N(C)c2cc(-c3ccccc3)cc3ncnn23)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ TSHR P16473 1/20 0.31

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
SCHEMBL6419066 0.83 KDM4E (0.38) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL5315409 0.78 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL5264978 0.70 GABRA1 (0.39) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL5913956 0.69 NPSR1 (0.44) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL5914109 0.69 MEN1 (0.41) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL6415711 0.68 CSNK1E (0.43) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL5318263 0.68 MAPT (0.41) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL5914199 0.66 CSNK1E (0.38) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL5260815 0.66 CSNK1E (0.39) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL5320096 0.66 BRD4 (0.37) KDM4EALDH1A1MAPTHPGDNPSR1

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
EP-1765825-A1 CONDENSED TRIAZOLES AND INDAZOLES USEFUL IN TREATING CITOKINES MEDIATED DISEASES AND OTHER DISEASES AMGEN INC. (US) 2007-03-28 — — EP disclosed
WO-2006004702-A1 CONDENSED TRIAZOLES AND INDAZOLES USEFUL IN TREATING CITOKINES MEDIATED DISEASES AND OTHER DISEASES AMGEN INC. (US) 2006-01-12 — — WO disclosed
US-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 — — 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-20050288502-A1 Substituted heterocyclic compounds and methods of use MYLK2, IAPP, MAPT KDM4E 3908/4885ALDH1A1 3162/4885MAPT 3/4885

“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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