SCHEMBL10250615

SCHEMBL10250615

COc1ccc(CNc2ncnn3c(C(=O)O)ccc23)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 11/20 0.53
▸ LMNA P02545 6/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KDM4C Q9H3R0 1/20 0.49
▸ CYP1A2 P05177 15/20 0.48
▸ CYP3A4 P08684 15/20 0.48
▸ CYP2C19 P33261 15/20 0.48
▸ CYP2D6 P10635 13/20 0.48
▸ HSD17B10 Q99714 8/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ ALDH1A1 P00352 9/20 0.48
▸ CYP2C9 P11712 7/20 0.48
▸ CLK4 Q9HAZ1 7/20 0.48
▸ HIF1A Q16665 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ USP2 O75604 4/20 0.47
▸ ALOX15 P16050 4/20 0.47
▸ MEN1 O00255 2/20 0.47

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
SCHEMBL10254292 0.84 TSHR (0.55) TSHRLMNAHPGDHTTSMN1; SMN2
SCHEMBL31456984 0.75 KDM4C (0.52) TSHRLMNAKDM4CCYP1A2CYP3A4
SCHEMBL21174364 0.75 KDM4C (0.52) TSHRLMNAKDM4CCYP1A2CYP3A4
SCHEMBL31272810 0.74 TSHR (0.56) TSHRLMNAHPGDHTTSMN1; SMN2
SCHEMBL26071710 0.73 KDM4C (0.52) TSHRLMNAKDM4CCYP1A2CYP3A4
SCHEMBL30402672 0.73 KDM4C (0.52) TSHRLMNAKDM4CCYP1A2CYP3A4
SCHEMBL27902365 0.73 AURKA (0.55) TSHRLMNAKDM4CCYP1A2CYP3A4
SCHEMBL9930740 0.72 CYP1A2 (0.55) TSHRLMNAHPGDKDM4CCYP1A2
SCHEMBL1461787 0.72 AURKA (0.71) TSHRLMNAKDM4CCYP1A2CYP3A4
SCHEMBL30401701 0.72 AURKA (0.71) TSHRLMNAKDM4CCYP1A2CYP3A4

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
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 — — US 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 TSHR 2668/4885LMNA 1525/4885HPGD 1629/4885

“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.

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