SCHEMBL4498559

SCHEMBL4498559

COc1ccc2oc(-c3nc([N+](C)(C)CCCN)c4ccccc4n3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ DYRK3 O43781 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ HASPIN Q8TF76 1/20 0.38
▸ DYRK2 Q92630 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL12473323 0.92 GPR55 (0.39) APPKDM4EMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL4506936 0.91 GPR55 (0.39) APPKDM4EMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL1289492 0.88 MAPT (0.42) KDM4EMAPTALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL4503418 0.81 KDM4E (0.33) APPKDM4EMAPTALDH1A1HPGD
SCHEMBL1289503 0.73 CNR2 (0.34) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL1289362 0.73 MAOB (0.38) KDM4EMAPTALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL4509842 0.69 ITK (0.36) APPKDM4EMAPTALDH1A1NPC1
SCHEMBL1289456 0.69 LOXL2 (0.40) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL1289508 0.69 AGXT (0.41) KDM4EMAPTALDH1A1HPGDKMT2A
SCHEMBL10065462 0.66 RAD52 (0.68) KDM4EMAPTALDH1A1SMN1; SMN2MAPK1

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-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 — — US claimed
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 — — 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-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY TP53, AZI2, MCL1 APP 4788/4885KDM4E 221/4885MAPT 4852/4885

“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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