SCHEMBL9930617

SCHEMBL9930617

O=C(O)c1csc2c(NCCO)ncnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.39
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CCNA2 P20248 1/20 0.36

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
SCHEMBL9930221 0.88 HCAR3 (0.40) KDM4EHTTLMNAALDH1A1L3MBTL1
SCHEMBL9930301 0.88 AURKA (0.35) KDM4EL3MBTL1CYP2C9MAPTKMT2A
SCHEMBL9930605 0.84 SIRT2 (0.45) KDM4EALDH1A1MAPTRAB9AAURKA
SCHEMBL15541357 0.84 CSNK2A1 (0.43) CSNK2A1CSNK2A2CSNK2BKDM4EHTT
SCHEMBL9931108 0.84 HCAR3 (0.43) CYP3A4KDM4EHTTLMNAALDH1A1
SCHEMBL9930959 0.82 HCAR3 (0.42) LMNAALDH1A1TSHRMAPTKMT2A
SCHEMBL9930898 0.81 LPAR1 (0.35) KDM4EALDH1A1MAPTMAPK1AURKA
SCHEMBL9930438 0.81 JAK2 (0.42) ALDH1A1MAPTMAPK1
SCHEMBL9930627 0.81 EIF4EBP1 (0.35) L3MBTL1MAPTAURKA
SCHEMBL9930988 0.80 AURKA (0.43) PIM1KDM4EMAPTAURKA

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 CSNK2A1 598/4885CSNK2A2 746/4885CSNK2B 743/4885

“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.