SCHEMBL4738862

SCHEMBL4738862

c1ccc(Nc2ncnc3ccc(-c4ccoc4)cc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 1.00
CYP3A4 P08684 13/20 1.00
USP2 O75604 13/20 1.00
CLK4 Q9HAZ1 12/20 1.00
CYP2D6 P10635 10/20 1.00
LMNA P02545 10/20 1.00
ALDH1A1 P00352 10/20 1.00
MEN1 O00255 9/20 1.00
KMT2A Q03164 9/20 1.00
CYP2C19 P33261 9/20 1.00
TSHR P16473 7/20 1.00
HIF1A Q16665 5/20 0.78
HSD17B10 Q99714 8/20 0.69
CYP2C9 P11712 4/20 0.69
RAF1 P04049 4/20 0.67
BRAF P15056 4/20 0.67
MAPK1 P28482 6/20 0.63
KDM4E B2RXH2 2/20 0.63
MAPT P10636 1/20 0.63
ALOX15 P16050 1/20 0.62

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
SCHEMBL15051337 0.85 BRAF (0.84) CYP1A2CYP3A4USP2CLK4CYP2D6
SCHEMBL1675019 0.81 CLK4 (1.00) CYP1A2CYP3A4USP2CLK4CYP2D6
SCHEMBL15051638 0.81 EGFR (0.78) CYP1A2CYP3A4USP2CLK4CYP2D6
SCHEMBL6186515 0.80 MEN1 (0.74) CYP1A2CYP3A4USP2CLK4CYP2D6
SCHEMBL15051491 0.80 BRAF (1.00) CYP1A2CYP3A4USP2CLK4CYP2D6
SCHEMBL15052375 0.77 BRAF (0.82) CYP1A2CYP3A4USP2CLK4CYP2D6
SCHEMBL4350939 0.76 EGFR (0.67) CYP1A2CYP3A4USP2CLK4CYP2D6
SCHEMBL15077856 0.76 BRAF (0.65) CYP1A2CYP3A4USP2CLK4CYP2D6
SCHEMBL15051632 0.76 BRAF (0.73) CYP1A2CYP3A4USP2CLK4CYP2D6
SCHEMBL15052369 0.75 CLK4 (1.00) CYP1A2CYP3A4USP2CLK4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
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 (3 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 CYP1A2 1592/4885CYP3A4 2431/4885USP2 2356/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL CYP1A2 3697/4885CYP3A4 4330/4885USP2 227/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG CYP1A2 610/4885CYP3A4 1242/4885USP2 2668/4885

“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.