SCHEMBL428799

SCHEMBL428799

COc1nc(B2OC(C)(C)C(C)(C)O2)ccc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.40
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ROCK2 O75116 2/20 0.37
F11 P03951 3/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
KDM4E B2RXH2 2/20 0.33
CDC7 O00311 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
DGAT1 O75907 1/20 0.32
ROCK1 Q13464 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
UCHL1 P09936 1/20 0.32

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
SCHEMBL423702 0.86 PDCD1 (0.43) POLBTDP1KDM4EDGAT1CA1
SCHEMBL13858446 0.79 CA1 (0.33) CA1CA2CA9UCHL1ALPL
SCHEMBL31275434 0.77 CD274 (0.42) KDM4EDGAT1GAAPDCD1LG2CD274
SCHEMBL16428250 0.76 SNCA (0.33) KDM4ECA1CA2CA9ALDH1A1
SCHEMBL31414929 0.75 LPL (0.37) ALPLPDCD1LG2CD274
SCHEMBL31082970 0.75 GRM4 (0.33) UCHL1ALPL
SCHEMBL27080065 0.74 SNCA (0.36) CA1CA2CA9ALDH1A1ALPL
SCHEMBL21623497 0.74 LPL (0.33) F11DGAT1CA1CA2CA9
SCHEMBL29984088 0.74 SNCA (0.36) CA1CA2CA9ALDH1A1ALPL
SCHEMBL425892 0.74 LMNA (0.38) TDP1DGAT1UCHL1ALDH1A1CD274

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
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 WO 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-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 NNMT 1348/4885POLB 3481/4885TDP1 4559/4885

“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.