SCHEMBL4808328

SCHEMBL4808328

Nc1nc(N)c2ccccc2c1-c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.52
MAP4K4 O95819 4/20 0.51
IKBKE Q14164 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
JAK2 O60674 1/20 0.45
DPP4 P27487 1/20 0.44
BACE1 P56817 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
SCHEMBL5948518 0.78 GABRP (0.46) IKBKEKDM4EMAPT
SCHEMBL5947994 0.76 ALOX5 (0.48) MAP4K4IKBKEJAK2
SCHEMBL18371188 0.76 PTGS1 (0.49) IKBKEKDM4EMAPTADORA2AADORA1
SCHEMBL508694 0.75 MAP4K4 (0.54) DHFRMAP4K4ADORA2AADORA1JAK2
SCHEMBL20082997 0.74 PTGS1 (0.47) IKBKEKDM4EMAPTADORA2AADORA1
Ammonia Solution, Strong SCHEMBL3969114 0.74 IKBKE (0.53) DHFRMAP4K4IKBKEKDM4EL3MBTL1
SCHEMBL30301811 0.74 NR1I3 (0.63) MAP4K4KDM4EMAPTDPP4
SCHEMBL29446753 0.74 ESR1 (0.56) KDM4EADORA2AADORA1
SCHEMBL603134 0.74 ESR1 (0.56) KDM4EADORA2AADORA1
SCHEMBL18371197 0.73 PTGS1 (0.46) KDM4EMAPT

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 DHFR 1830/4885MAP4K4 2038/4885IKBKE 973/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG DHFR 945/4885MAP4K4 2626/4885IKBKE 3463/4885

“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.