SCHEMBL4784150

SCHEMBL4784150

c1ccc(Nc2nn(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.51
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ADORA3 P0DMS8 3/20 0.44
▸ AURKA O14965 2/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ EPAS1 Q99814 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ LTK P29376 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41

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
SCHEMBL10831531 0.71 KAT2B (0.54) GAAKDM4E
SCHEMBL10315082 0.71 MAPK1 (0.62) GAAMAPK1MEN1KMT2ANPC1
SCHEMBL10831975 0.71 MAPT (0.47) RORCMAPK1ADORA3EGFRPDE5A
SCHEMBL3161095 0.71 PDE5A (0.48) RORCMAPK1PDE5AKMT2AKDM4E
SCHEMBL4876232 0.71 RORC (0.46) RORCGAAHPGDMAPK1PDE5A
SCHEMBL2677079 0.71 PDE5A (0.44) RORCGAAMAPK1ADORA3PDE5A
SCHEMBL10832276 0.69 KDM4E (0.56) MAPK1MEN1KMT2AKDM4ENPC1
SCHEMBL5487133 0.69 PDE5A (0.54) GAAEGFRPDE5AMEN1KMT2A
SCHEMBL7344753 0.67 SLC6A2 (0.47) HPGDMAPK1MAP4K4MAPK14CLK4
SCHEMBL2549898 0.67 KHK (0.57) RORC

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 8 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
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
US-20080036373-A1 Platinum complex and light-emitting device TAKASAGO INTERNATIONAL CORPORATION 2008-02-14 — — US disclosed
US-20080036373-A1 Platinum complex and light-emitting device TAKASAGO INTERNATIONAL CORPORATION 2008-02-14 — — US disclosed
US-20080036373-A1 Platinum complex and light-emitting device TAKASAGO INTERNATIONAL CORPORATION 2008-02-14 — — US 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 RORC 237/4885GAA 3106/4885HPGD 391/4885
US-20080036373-A1 Platinum complex and light-emitting device XPA, ERCC4, UACA RORC 657/4885GAA 4212/4885HPGD 2415/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG RORC 973/4885GAA 466/4885HPGD 550/4885

“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.

Send feedback