SCHEMBL3493237

SCHEMBL3493237

COC(=O)c1ccnc(Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.58
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GPR52 Q9Y2T5 3/20 0.55
AURKA O14965 9/20 0.55
ROCK1 Q13464 1/20 0.54
KDM4E B2RXH2 3/20 0.53
MAPT P10636 2/20 0.53
THRB P10828 1/20 0.53
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL3491242 0.83 HDAC3 (0.55) PHGDHMAPK1ROCK1KDM4EMAPT
SCHEMBL3493497 0.83 GPR52 (0.57) GPR52AURKAKDM4EMAPTALDH1A1
SCHEMBL3492442 0.81 ROCK1 (0.57) MAPK1ROCK1MAPT
SCHEMBL3492157 0.80 KDM5A (0.55) PHGDHGPR52AURKAKDM4E
SCHEMBL24349565 0.79 GPR52 (0.66) GPR52AURKAROCK1
SCHEMBL4238979 0.79 AURKA (0.67) PHGDHAURKAKDM4EMAPTTHRB
SCHEMBL21090663 0.78 MAPT (0.49) PHGDHMAPK1L3MBTL1AURKAROCK1
SCHEMBL581753 0.78 KDM4E (0.55) PHGDHAURKAKDM4EALDH1A1
SCHEMBL30772297 0.78 KDM4E (0.55) PHGDHAURKAKDM4EALDH1A1
SCHEMBL18286152 0.78 MAPT (0.59) MAPK1L3MBTL1AURKAMAPTTHRB

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-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP PHGDH 684/4885MAPK1 251/4885L3MBTL1 1352/4885

“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.