SCHEMBL9930438

SCHEMBL9930438

CC(C)(C)CNc1ncnc2c(C(=O)O)csc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.34
MAPK8 P45983 2/20 0.33
MAPT P10636 2/20 0.33
CHRM4 P08173 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
EGFR P00533 1/20 0.32
DOT1L Q8TEK3 1/20 0.32
ADORA2A P29274 1/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
NUDT1 P36639 1/20 0.31
RAF1 P04049 1/20 0.31
CSF1R P07333 1/20 0.31
BRAF P15056 1/20 0.31
DDR1 Q08345 1/20 0.31
DDR2 Q16832 1/20 0.31
PRKCI P41743 1/20 0.31

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
SCHEMBL9930627 0.87 EIF4EBP1 (0.35) SIRT2MAPK8MAPTLPAR1LPAR2
SCHEMBL9930605 0.85 SIRT2 (0.45) SIRT2MAPTALDH1A1LPAR1LPAR2
SCHEMBL9930221 0.83 HCAR3 (0.40) SIRT2MAPTCHRM4ALDH1A1LPAR2
SCHEMBL9930959 0.83 HCAR3 (0.42) MAPTCHRM4ALDH1A1LPAR1LPAR2
SCHEMBL9930617 0.81 CSNK2A1 (0.39) MAPTALDH1A1MAPK1
SCHEMBL9930841 0.80 YTHDC1 (0.35) MAPTALDH1A1MAPK1LPAR1LPAR2
SCHEMBL9930301 0.80 AURKA (0.35) MAPTRAF1BRAF
SCHEMBL15541357 0.80 CSNK2A1 (0.43) MAPTALDH1A1MAPK1PRKCI
SCHEMBL9931108 0.80 HCAR3 (0.43) ALDH1A1MAPK1
SCHEMBL9930898 0.79 LPAR1 (0.35) MAPTALDH1A1MAPK1LPAR1LPAR2

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-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 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-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF JAK2 1184/4885JAK1 777/4885SIRT2 3351/4885

“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.