SCHEMBL9930221

SCHEMBL9930221

CCCNc1ncnc2c(C(=O)O)csc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.40
KDM6B O15054 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
RAF1 P04049 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.37
POLB P06746 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
PRKCI P41743 1/20 0.35
CHRNA7 P36544 1/20 0.34
ATM Q13315 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
SCHEMBL9930605 0.89 SIRT2 (0.45) HCAR3ALDH1A1KDM4ESIRT2PRKCI
SCHEMBL9930617 0.88 CSNK2A1 (0.39) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL9930301 0.86 AURKA (0.35) KDM4EMEN1KMT2ARAF1ATM
SCHEMBL15541357 0.86 CSNK2A1 (0.43) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL9931108 0.86 HCAR3 (0.43) HCAR3ALDH1A1KDM4EKMT2AHPGD
SCHEMBL9930959 0.84 HCAR3 (0.42) HCAR3KDM6BKDM4CALDH1A1MEN1
SCHEMBL9930438 0.83 JAK2 (0.42) ALDH1A1RAF1SIRT2PRKCIBRAF
SCHEMBL9930841 0.81 YTHDC1 (0.35) HCAR3ALDH1A1LMNARAF1POLB
SCHEMBL9930627 0.80 EIF4EBP1 (0.35) SIRT2L3MBTL1BRAFLPAR2MAPT
SCHEMBL9930898 0.80 LPAR1 (0.35) ALDH1A1KDM4ERAF1PRKCIBRAF

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 HCAR3 4156/4885KDM6B 3646/4885KDM4C 3920/4885

“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.