SCHEMBL4724741

SCHEMBL4724741

COc1ccc(-c2sc3cnccc3c2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 2/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
CASP1 P29466 1/20 0.53
HTT P42858 1/20 0.53
CASP7 P55210 1/20 0.53
NCOA1 Q15788 1/20 0.53
RCE1 Q9Y256 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
HSP90AA1 P07900 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP2C19 P33261 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
SCHEMBL9868850 0.83 HSP90AA1 (0.46) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL5620698 0.80 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL6812421 0.79 TUBB4A (0.57) ALDH1A1HSD17B10HTTCYP1A2CYP3A4
SCHEMBL6808979 0.79 ATM (0.59) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL9870113 0.77 CNR1 (0.45) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4722536 0.76 CYP2A6 (0.47) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4723558 0.76 KDM4E (0.66) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4765975 0.76 KDM4E (0.46) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL9869221 0.74 HSP90AA1 (0.49) HSP90AA1PTGS2ATMTDP1L3MBTL1
SCHEMBL6808984 0.74 TUBB4A (0.46) ALDH1A1HPGDHTTTP53ATM

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-1934228-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-06-25 EP disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF KDM4E 3956/4885ALDH1A1 1842/4885HSD17B10 2499/4885

“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.