SCHEMBL13815653

SCHEMBL13815653

CCOC(=O)CC(=O)Nc1cc(N2CCCCC2)nn1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ DGAT1 O75907 2/20 0.37
▸ SOAT1 P35610 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TP53 P04637 3/20 0.37
▸ LMNA P02545 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL13815652 0.73 NPC1 (0.40) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL13815722 0.72 SMN1; SMN2 (0.42) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL13815635 0.70 F2 (0.43) KMT2AMEN1HPGDALDH1A1PKM
SCHEMBL32688300 0.60 ALDH1A1 (0.54) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL11131935 0.60 MAPK14 (0.50) HPGDMAPK1
SCHEMBL20548019 0.60 KMT2A (0.56) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL23414868 0.59 RIOK2 (0.60) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL2808922 0.59 AOC3 (0.52) KMT2ANPC1RAB9AHPGDALDH1A1
SCHEMBL31554404 0.59 HPGD (0.47) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL29972899 0.59 RIOK2 (0.60) KMT2ANPC1RAB9AMEN1HPGD

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-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 — — US disclosed
US-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 — — US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 — — US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 — — 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-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS IL23R, IL2, IL17A KMT2A 4323/4885NPC1 540/4885RAB9A 2331/4885

“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.

Send feedback