SCHEMBL14891841

SCHEMBL14891841

CN(C)CCOc1ccc2[nH]c(-c3ccc4[nH]c(-c5ccccn5)nc4c3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.62
▸ CBFB Q13951 8/20 0.54
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ PKM P14618 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ RUNX1 Q01196 2/20 0.50
▸ METAP2 P50579 3/20 0.48
▸ METAP1 P53582 3/20 0.48
▸ HPGD P15428 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ ACVR1B P36896 1/20 0.47
▸ TGFBR1 P36897 1/20 0.47
▸ KIT P10721 1/20 0.46
▸ DYRK3 O43781 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45

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
SCHEMBL14906551 0.95 ACHE (0.62) ACHECBFBNPC1RAB9APKM
SCHEMBL21017221 0.82 ACHE (0.63) ACHEKITDYRK3MAP4K4PIM1
SCHEMBL21017232 0.82 ACHE (0.77) ACHE
SCHEMBL21018108 0.82 ACHE (0.69) ACHEKITDYRK3MAP4K4PIM1
SCHEMBL12289582 0.81 ACHE (0.61) ACHENPC1RAB9APKMSMN1; SMN2
SCHEMBL14892370 0.80 NPC1 (0.49) ACHECBFBNPC1RAB9APKM
SCHEMBL20982555 0.80 ACHE (0.59) ACHE
SCHEMBL124377 0.80 CBFB (0.81) CBFBNPC1RAB9APKMLMNA
SCHEMBL21017655 0.80 ACHE (0.65) ACHENPC1RAB9ALMNASMN1; SMN2
SCHEMBL14891955 0.80 NPC1 (0.48) ACHECBFBNPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 — — US disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 — — EP disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 — — US disclosed
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 — — 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-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS NR1H2, NR1H3, NR1I3 ACHE 3919/4885CBFB 688/4885NPC1 230/4885

“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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