SCHEMBL627154

SCHEMBL627154

CCOC(=O)c1nc(I)oc1Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 2/20 0.52
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 6/20 0.45
LMNA P02545 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 2/20 0.45
NPSR1 Q6W5P4 4/20 0.45
KMT2A Q03164 4/20 0.45
KCNH2 Q12809 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 2/20 0.44
TNF P01375 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CCR6 P51684 1/20 0.44
RUNX1 Q01196 1/20 0.44
CBFB Q13951 1/20 0.44

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
SCHEMBL627988 0.80 TARBP2 (0.62) TARBP2ALDH1A1GAAMAPTLMNA
SCHEMBL626277 0.77 TARBP2 (0.48) TARBP2ALDH1A1GAAMAPTLMNA
SCHEMBL18003341 0.74 TARBP2 (0.76) TARBP2ALDH1A1MAPTLMNANPC1
SCHEMBL26703571 0.73 MAPK1 (0.59) ALDH1A1GAAMAPTLMNANPC1
SCHEMBL2691856 0.72 ALDH1A1 (0.51) TARBP2ALDH1A1GAAMAPTLMNA
SCHEMBL26984667 0.69 TARBP2 (0.53) TARBP2ALDH1A1MAPTNPC1TP53
SCHEMBL892951 0.69 KMT2A (0.54) TARBP2ALDH1A1GAAMAPTLMNA
SCHEMBL15932095 0.69 MAPT (0.57) ALDH1A1GAAMAPTLMNANPC1
SCHEMBL4743899 0.69 TARBP2 (0.64) TARBP2ALDH1A1MAPTNPC1RAB9A
SCHEMBL28295527 0.69 TARBP2 (1.00) TARBP2ALDH1A1MAPTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062038-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-9062038-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-9062038-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-20130267563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-10 US disclosed
US-20130267563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-10 US disclosed
US-20130267563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-10 US disclosed
WO-2012021611-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2012021611-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 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-20130267563-A1 HETEROARYLS AND USES THEREOF RICTOR, MTOR, AKT1S1 TARBP2 4307/4885ALDH1A1 1071/4885GAA 1809/4885

“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.