SCHEMBL4241945

SCHEMBL4241945

CC(C)Cc1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALPL P05186 3/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALPI P09923 2/20 0.39
ALPG P10696 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA3 P0DMS8 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
SCHEMBL18656067 0.89 MAPT (0.55) MAPTKDM4EALPLMAPK1KMT2A
SCHEMBL5029790 0.88 KDM4E (0.62) MAPTKDM4EMAPK1KMT2ACYP2D6
SCHEMBL11372794 0.83 DDAH1 (0.54) MAPTKMT2AMEN1TDP1HSD17B10
SCHEMBL11368772 0.80 KMT2A (0.46) KDM4EKMT2ATDP1HSD17B10RHEB
SCHEMBL25160282 0.80 MAPT (0.55) MAPTKDM4EALPLMAPK1KMT2A
SCHEMBL15392567 0.79 RAD52 (0.45) MAPTKDM4EKMT2AMEN1TDP1
SCHEMBL10955417 0.79 TDP1 (0.41) MAPTTDP1HSD17B10SMN1; SMN2LMNA
SCHEMBL8809278 0.78 MAPT (0.75) MAPTKDM4EALPLMAPK1KMT2A
SCHEMBL8229333 0.78 MAPT (0.54) MAPTKDM4EALPLMAPK1KMT2A
SCHEMBL5029652 0.78 HSD17B10 (0.53) KDM4EKMT2AMEN1HSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 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 (2 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 MAPT 1769/4885KDM4E 2565/4885ALPL 4346/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA MAPT 2228/4885KDM4E 3686/4885ALPL 2073/4885

“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.