SCHEMBL14906667

SCHEMBL14906667

CN(C)CCNc1ccc2[nH]c(-c3ccc(N)c(N)c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ POLB P06746 4/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ PKM P14618 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ ACHE P22303 3/20 0.39
▸ FGFR1 P11362 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ USP2 O75604 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ GAA P10253 2/20 0.37

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
SCHEMBL18973762 0.89 KDM4E (0.43) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL14906664 0.86 KMT2A (0.42) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL14892594 0.84 ALDH1A1 (0.43) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL21017252 0.83 KDM4E (0.54) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL14903467 0.82 ALDH1A1 (0.47) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL14892413 0.81 NPC1 (0.40) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL14892370 0.80 NPC1 (0.49) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL12287266 0.79 ALDH1A1 (0.48) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL12289543 0.77 CBFB (0.50) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL12289582 0.77 ACHE (0.61) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1

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 KDM4E 3680/4885SMN1; SMN2 3840/4885NPC1 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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