SCHEMBL3493497

SCHEMBL3493497

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 5/20 0.57
AURKA O14965 9/20 0.56
GAA P10253 1/20 0.55
BRAF P15056 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 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
SCHEMBL3493237 0.83 PHGDH (0.58) GPR52AURKAALDH1A1MAPTKDM4E
SCHEMBL3492011 0.81 HDAC3 (0.57) GPR52AURKAGAAHDAC3HDAC1
SCHEMBL3492215 0.81 HDAC3 (0.54) GPR52GAAHDAC3HDAC1HDAC2
SCHEMBL4238979 0.79 AURKA (0.67) AURKAGAABRAFALDH1A1MAPT
SCHEMBL3492747 0.78 ROCK1 (0.55) ALDH1A1MAPTKDM4E
SCHEMBL1518750 0.77 AURKA (0.65) AURKAGAAMAPTKDM4E
SCHEMBL12590957 0.77 AURKA (0.58) GPR52AURKAGAAKDM4E
SCHEMBL29646460 0.77 GAA (0.68) GAAHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL1127884 0.77 GAA (0.68) GAAHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL26186324 0.77 AURKA (0.60) AURKAGAABRAFHDAC3HDAC1

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 GPR52 4298/4885AURKA 903/4885GAA 1403/4885

“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.