SCHEMBL4741877

SCHEMBL4741877

Brc1ccc(CCNc2ncnc3[nH]ccc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 4/20 0.76
TTBK2 Q6IQ55 4/20 0.76
HTT P42858 7/20 0.54
BTK Q06187 3/20 0.53
HDAC6 Q9UBN7 1/20 0.52
EGFR P00533 3/20 0.48
SLC29A1 Q99808 1/20 0.48
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
INCENP Q9NQS7 1/20 0.48
LMNA P02545 2/20 0.46
APP P05067 1/20 0.46
MAPK1 P28482 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
NR2F2 P24468 1/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1899427 0.86 TTBK1 (1.00) TTBK1TTBK2HTTBTKHDAC6
SCHEMBL8505023 0.86 TTBK1 (0.75) TTBK1TTBK2HTTBTKEGFR
SCHEMBL23202913 0.82 TTBK1 (0.69) TTBK1TTBK2HTTBTKHDAC6
SCHEMBL23202860 0.81 TTBK1 (0.67) TTBK1TTBK2HTTBTKHDAC6
SCHEMBL23202949 0.79 TTBK1 (0.65) TTBK1TTBK2HTTBTKHDAC6
SCHEMBL31651184 0.79 TTBK1 (0.65) TTBK1TTBK2HTTBTKHDAC6
SCHEMBL4738013 0.78 TTBK1 (0.57) TTBK1TTBK2HTTBTKHDAC6
SCHEMBL23409027 0.77 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6
SCHEMBL16266363 0.76 TTBK1 (0.61) TTBK1TTBK2HTTBTKHDAC6
SCHEMBL23409028 0.75 TTBK1 (0.59) TTBK1TTBK2BTKHDAC6

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 TTBK1 2062/4885TTBK2 1479/4885HTT 1096/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG TTBK1 2093/4885TTBK2 1786/4885HTT 1527/4885

“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.