SCHEMBL13279929

SCHEMBL13279929

Nc1cncc(C(=O)N2CCN(CCO)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ KDM4E B2RXH2 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ DDO Q99489 1/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ THRB P10828 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ BMPR1B O00238 1/20 0.42
▸ BMPR1A P36894 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ ACVRL1 P37023 1/20 0.42
▸ ACVR1 Q04771 1/20 0.42
▸ PIK3CA P42336 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ PARP1 P09874 1/20 0.41

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
SCHEMBL16132012 0.83 ALDH1A1 (0.51) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL24755709 0.81 KDM4E (0.61) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL30933132 0.81 KDM4E (0.61) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL18041382 0.81 KDM4E (0.66) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL13466398 0.80 ALDH1A1 (0.64) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL2377318 0.78 ALDH1A1 (0.69) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL3400117 0.77 SMN1; SMN2 (0.54) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL20679997 0.75 ALDH1A1 (0.53) ALDH1A1POLBKDM4EALOX15
SCHEMBL13280697 0.74 PKM (0.47) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL24756635 0.73 MEN1 (0.51) ALDH1A1POLBKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 — — US disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 — — US disclosed
EP-2696683-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS Alzheimer's Institute of America, Inc. (US) 2014-02-19 — — EP disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 — — WO disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 — — 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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 ALDH1A1 4487/4885POLB 1057/4885KDM4E 2393/4885

“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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