SCHEMBL1493641

SCHEMBL1493641

COc1ccc(CNc2ncnc3cc(C(=O)O)cn23)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.48
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 9/20 0.44
CYP3A4 P08684 9/20 0.44
CYP2D6 P10635 8/20 0.44
CYP2C19 P33261 8/20 0.44
CLK4 Q9HAZ1 7/20 0.44
MAPK1 P28482 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
LMNA P02545 4/20 0.44
USP2 O75604 4/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 8/20 0.44
ALOX15 P16050 1/20 0.44
PPARA Q07869 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL9930227 0.83 NPC1 (0.48) NPC1PKMRAB9ACYP1A2CYP3A4
SCHEMBL21639656 0.73 CA1 (0.72) KDM4CNPC1RAB9ACYP1A2CYP3A4
SCHEMBL23925667 0.73 CYP1A2 (0.60) KDM4CCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL31275112 0.73 KDM4C (0.57) KDM4CCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28091678 0.73 CYP1A2 (0.58) KDM4CCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL30973188 0.71 ZAP70 (0.49) KDM4CNPC1PKMRAB9ACYP1A2
SCHEMBL31026852 0.71 KDM4C (0.48) KDM4CNPC1PKMRAB9ACYP1A2
SCHEMBL21174364 0.70 KDM4C (0.52) KDM4CCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL31456984 0.70 KDM4C (0.52) KDM4CCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3591247 0.70 KDM4C (0.54) KDM4CCYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470538-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
WO-2011025940-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO 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 KDM4C 3920/4885NPC1 2013/4885PKM 803/4885

“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.