SCHEMBL14720359

SCHEMBL14720359

CC(=O)Oc1cc(-c2ccncc2)nc2c(Cc3ccccc3C)c(C)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
CLK1 P49759 1/20 0.39
UBE2N P61088 1/20 0.39
USP2 O75604 4/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 1/20 0.39
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 1/20 0.37
PIK3CD O00329 4/20 0.36
PIK3CA P42336 4/20 0.36
PIK3CB P42338 4/20 0.36
PIK3CG P48736 4/20 0.36
HTR6 P50406 2/20 0.36
PSEN1 P49768 1/20 0.35

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
SCHEMBL14720444 0.87 PIK3CD (0.51) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
Acetic Acid SCHEMBL14720357 0.84 KDM4E (0.43) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14720445 0.83 KDM4E (0.42) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14720101 0.81 PIK3CD (0.41) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14723228 0.76 MAPT (0.38) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14720221 0.74 PIK3CB (0.58) KDM4EALDH1A1HSD17B10HPGDMAPK1
Acetic Acid SCHEMBL14720443 0.72 PIK3CD (0.51) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14720301 0.69 PIK3CB (0.53) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL15843945 0.68 GSK3B (0.50) KDM4ERAB9ASMN1; SMN2ROCK2ROCK1
SCHEMBL15856062 0.68 PIK3CB (0.46) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
WO-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 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-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CA, PI4K2B KDM4E 2544/4885RAB9A 733/4885SMN1; SMN2 2966/4885

“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.