SCHEMBL1773633

SCHEMBL1773633

CC(C)(C)c1ccc(-c2ccn(CC#N)c(=O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 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
SCHEMBL1772806 0.82 HDAC6 (0.34) KIF11PDE10AKMT2AMEN1
SCHEMBL12602188 0.75 KIF11 (0.39) KIF11SMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL1773888 0.73 KIF11 (0.38) KIF11SMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL1773889 0.73 KIF11 (0.38) KIF11SMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL22322322 0.71 PDE10A (0.38) ALDH1A1KDM4EPDE10AKMT2APIK3CD
SCHEMBL10461993 0.71 L3MBTL1 (0.41) LMNATP53ALDH1A1KDM4EMAPT
SCHEMBL1773347 0.69 KIF11 (0.36) KIF11
SCHEMBL1773349 0.69 KIF11 (0.36) KIF11
SCHEMBL1773346 0.69 KIF11 (0.36) KIF11
SCHEMBL22322351 0.68 CSNK2A1 (0.34) KDM4EPDE10AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 — — 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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 KIF11 1475/4885SMN1; SMN2 2425/4885LMNA 2716/4885

“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.

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