SCHEMBL9930640

SCHEMBL9930640

Cc1ncnc2c(C(=O)O)csc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GPR35 Q9HC97 4/20 0.38
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NOTUM Q6P988 1/20 0.34
PDPK1 O15530 1/20 0.33
HPGD P15428 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL15542445 0.82 TSHR (0.37) PKMKDM4EGPR35MAPK1NPC1
SCHEMBL2235253 0.79 LMNA (0.37) PKMGPR35ALDH1A1TSHRMAPT
SCHEMBL1492106 0.79 CSF1R (0.42)
SCHEMBL2235201 0.79 ALDH1A1 (0.40) PKMGPR35MAPK1ALDH1A1TSHR
SCHEMBL9931007 0.79 GABRP (0.37) GPR35MAPK1ALDH1A1TSHRMAPT
SCHEMBL9930841 0.79 YTHDC1 (0.35) PKMMAPK1ALDH1A1TSHRMAPT
SCHEMBL18633737 0.79 ALDH1A1 (0.33) PKMKDM4EGPR35MAPK1NPC1
SCHEMBL422304 0.77 NPC1 (0.53) PKMKDM4EMAPK1NPC1ALDH1A1
SCHEMBL30845424 0.77 ASPH (0.35) PKMKDM4EMAPK1TSHRMAPT
SCHEMBL9930522 0.76 DAO (0.33) KDM4EALDH1A1TSHRMAPTKMT2A

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 PKM 803/4885KDM4E 3645/4885GPR35 4341/4885

“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.