SCHEMBL4738013

SCHEMBL4738013

Brc1ccccc1CCNc1ncnc2[nH]ccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 6/20 0.57
TTBK2 Q6IQ55 6/20 0.57
BTK Q06187 4/20 0.51
EGFR P00533 4/20 0.46
AURKA O14965 2/20 0.46
AURKB Q96GD4 2/20 0.46
INCENP Q9NQS7 1/20 0.46
PTK2 Q05397 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC29A1 Q99808 1/20 0.43
RPS6KB1 P23443 1/20 0.42
TAAR1 Q96RJ0 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
SCHEMBL8505023 0.81 TTBK1 (0.75) TTBK1TTBK2BTKEGFRAURKB
SCHEMBL4741877 0.78 TTBK1 (0.76) TTBK1TTBK2BTKEGFRAURKA
SCHEMBL28451436 0.78 TTBK1 (0.62) TTBK1TTBK2BTKEGFRAURKA
SCHEMBL30485458 0.78 TTBK1 (0.62) TTBK1TTBK2BTKEGFRAURKA
SCHEMBL23409027 0.75 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6
SCHEMBL29665587 0.75 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6
SCHEMBL16266363 0.74 TTBK1 (0.61) TTBK1TTBK2BTKHDAC6HTT
Hydrochloric Acid SCHEMBL29729054 0.74 TTBK1 (0.61) TTBK1TTBK2BTKHDAC6
SCHEMBL1899427 0.73 TTBK1 (1.00) TTBK1TTBK2BTKHDAC6LMNA
SCHEMBL23409028 0.73 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-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY 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 1479/4885BTK 1741/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG TTBK1 2093/4885TTBK2 1786/4885BTK 1926/4885

“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.