SCHEMBL3907014

SCHEMBL3907014

CC(C)Cc1nc2ccc(O)cc2c(-c2ccsc2)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESRRB O95718 2/20 0.37
ESRRA P11474 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ADORA1 P30542 3/20 0.36
DPP4 P27487 7/20 0.36
ADORA2A P29274 1/20 0.36
RET P07949 4/20 0.35
FLT4 P35916 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
CSNK2A1 P68400 1/20 0.35
DYRK1A Q13627 1/20 0.35
AURKB Q96GD4 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
ABL1 P00519 1/20 0.34

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
SCHEMBL3899817 0.84 DPP4 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2DPP4
SCHEMBL3905676 0.83 DPP4 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2ESRRB
SCHEMBL3904443 0.83 KDM4E (0.40) KDM4EALDH1A1HPGDSMN1; SMN2ADORA1
SCHEMBL3895289 0.82 DPP4 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2ESRRB
SCHEMBL3892647 0.81 DPP4 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2ESRRB
SCHEMBL3894281 0.81 DPP4 (0.58) DPP4
SCHEMBL3892021 0.78 KDM4E (0.42) KDM4EALDH1A1HPGDSMN1; SMN2ESRRB
SCHEMBL3896047 0.77 SMN1; SMN2 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2ESRRB
SCHEMBL3893249 0.76 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2ESRRB
SCHEMBL3906128 0.71 DPP4 (0.43) KDM4EESRRBESRRAESR1ESR2

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-7547710-B2 Fused heterocyclic compounds as peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-16 US disclosed
EP-1527049-B1 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP disclosed
US-20060135530-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 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-20060135530-A1 Fused heterocyclic compounds NR4A3, DPP3, INSR KDM4E 2412/4885ALDH1A1 2712/4885HPGD 1469/4885

“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.