SCHEMBL752497

SCHEMBL752497

[c]1cc(Nc2ccc(N3CCOCC3)nn2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ BPTF Q12830 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ IKBKE Q14164 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ CDK4 P11802 2/20 0.39
▸ CDK6 Q00534 1/20 0.39
▸ CNR2 P34972 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 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
SCHEMBL749069 0.78 ALDH1A1 (0.45) KDM4EPKMBPTFALDH1A1SMN1; SMN2
SCHEMBL10746496 0.74 CYP2C19 (0.46) KDM4EALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL22970904 0.74 CDK4 (0.49) KDM4EPKMBPTFALDH1A1SMN1; SMN2
SCHEMBL5754979 0.72 ALDH1A1 (0.61) KDM4EPKMALDH1A1SMN1; SMN2HTT
SCHEMBL10970673 0.71 KDM4E (0.56) KDM4EPKMALDH1A1SMN1; SMN2HTT
SCHEMBL16840723 0.71 KDM4E (0.56) KDM4EPKMBPTFALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11192350 0.70 KDM4E (0.55) KDM4EPKMALDH1A1SMN1; SMN2HTT
SCHEMBL23768195 0.68 KDM4E (0.52) KDM4EPKMALDH1A1SMN1; SMN2HTT
SCHEMBL11298447 0.67 KDM4E (0.54) KDM4EPKMALDH1A1SMN1; SMN2HTT
SCHEMBL22971355 0.67 CNR2 (0.50) KDM4EPKMBPTFALDH1A1SMN1; SMN2

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
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 — — EP disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 — — US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 — — EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 — — WO 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD KDM4E 1665/4885PKM 652/4885BPTF 1564/4885

“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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