SCHEMBL12023713

SCHEMBL12023713

Fc1ccc(-c2nc3sccn3c2-c2ccnc(OCc3ccccc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.57
RAF1 P04049 12/20 0.57
EGFR P00533 4/20 0.55
ERBB4 Q15303 3/20 0.55
CYP3A4 P08684 2/20 0.55
KCNH2 Q12809 2/20 0.55
FLT3 P36888 2/20 0.55
ARAF P10398 1/20 0.55
KDR P35968 1/20 0.55
MAP2K2 P36507 1/20 0.55
JAK3 P52333 1/20 0.55
MAPK10 P53779 1/20 0.55
FGFR1 P11362 2/20 0.53
MAPK8 P45983 2/20 0.53
MAP3K20 Q9NYL2 2/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
FRK P42685 1/20 0.53
MAPK9 P45984 1/20 0.53
CSNK1A1 P48729 1/20 0.53

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
SCHEMBL12023720 0.86 FGFR1 (0.57) BRAFRAF1EGFRERBB4FLT3
SCHEMBL12023739 0.83 PRKD3 (0.59) BRAFRAF1EGFRERBB4FLT3
SCHEMBL12023715 0.82 FGFR1 (0.53) BRAFRAF1EGFRERBB4FLT3
SCHEMBL12023711 0.82 BRAF (0.53) BRAFRAF1EGFRERBB4FGFR1
SCHEMBL12023679 0.82 BRAF (0.68) BRAFRAF1EGFRFLT3FGFR1
SCHEMBL12023259 0.82 BRAF (0.52) BRAFRAF1EGFRERBB4FGFR1
SCHEMBL13071584 0.80 BRAF (0.52) BRAFRAF1EGFRERBB4CYP3A4
SCHEMBL12023655 0.78 BRAF (0.71) BRAFRAF1FLT3FGFR1MAPK8
SCHEMBL12023963 0.78 BRAF (0.52) BRAFRAF1ERBB4FLT3FGFR1
SCHEMBL14392171 0.78 TEK (0.63) BRAFRAF1ERBB4FGFR1MAPK8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 US disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 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 (2 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-20070270418-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK8, MAPK7 BRAF 179/4885RAF1 198/4885EGFR 3772/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 BRAF 154/4885RAF1 197/4885EGFR 3656/4885

“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.