SCHEMBL4787758

SCHEMBL4787758

COc1ccc(Cl)cc1Nc1ncnc2[nH]ccc12

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 4/20 0.65
TTBK1 Q5TCY1 9/20 0.59
TTBK2 Q6IQ55 8/20 0.59
MKNK1 Q9BUB5 1/20 0.58
MKNK2 Q9HBH9 1/20 0.58
AKT1 P31749 1/20 0.56
SRC P12931 1/20 0.53
FGFR1 P11362 1/20 0.51
FLT1 P17948 1/20 0.51
EPHB2 P29323 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
BRAF P15056 1/20 0.51
SYK P43405 1/20 0.50
RET P07949 1/20 0.49

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
SCHEMBL4787062 0.83 TTBK1 (0.63) TNNI3KTTBK1TTBK2MKNK1MKNK2
SCHEMBL4787438 0.82 TNNI3K (0.62) TNNI3KTTBK1TTBK2MKNK1MKNK2
SCHEMBL21620794 0.77 AKT1 (0.49) TNNI3KTTBK1TTBK2MKNK1MKNK2
SCHEMBL3801686 0.76 KMT2A (0.67) SRCFGFR1FLT1EPHB2FLT4
SCHEMBL24881543 0.75 TTBK1 (0.76) TTBK1TTBK2
SCHEMBL16961583 0.75 MKNK1 (0.77) TNNI3KTTBK1TTBK2MKNK1MKNK2
SCHEMBL15618238 0.74 TNNI3K (0.53) TNNI3KTTBK1TTBK2MKNK1MKNK2
SCHEMBL23565733 0.73 KMT2A (0.61)
SCHEMBL4738813 0.73 TTBK1 (1.00) TNNI3KTTBK1TTBK2BRAF
SCHEMBL1096352 0.72 EGFR (0.51) SRCFGFR1FLT1EPHB2FLT4

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
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 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 (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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 TNNI3K 1832/4885TTBK1 2062/4885TTBK2 1479/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG TNNI3K 2974/4885TTBK1 2093/4885TTBK2 1786/4885

“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.