SCHEMBL6931483

SCHEMBL6931483

CCc1cnc(N)cc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 10/20 0.74
GABRD O14764 10/20 0.74
GABRA1 P14867 10/20 0.74
GABRB1 P18505 10/20 0.74
GABRG2 P18507 10/20 0.74
GABRB3 P28472 10/20 0.74
GABRA5 P31644 10/20 0.74
GABRA3 P34903 10/20 0.74
GABRA2 P47869 10/20 0.74
GABRB2 P47870 10/20 0.74
GABRA4 P48169 10/20 0.74
GABRE P78334 10/20 0.74
GABRA6 Q16445 10/20 0.74
GABRG1 Q8N1C3 10/20 0.74
GABRG3 Q99928 10/20 0.74
GABRQ Q9UN88 10/20 0.74
NOS3 P29474 3/20 0.56
NOS1 P29475 3/20 0.56
NOS2 P35228 3/20 0.56
KDM4E B2RXH2 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
SCHEMBL2859500 0.85 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9318375 0.79 ASPH (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11623407 0.79 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23674714 0.78 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30100688 0.78 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23674678 0.78 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20640895 0.77 GABRP (0.72) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15018104 0.76 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5357531 0.75 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6297457 0.75 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649604-B2 Analgesics; antidiabetic agents; antiinflamamtory agents AMGEN INC. 2003-11-18 US disclosed
US-6610698-B2 Treatment of tumor necrosis factor-alpha, interleukin-1 beta, interleukin-6, and interleukin-8 mediated diseases AMGEN, INC. 2003-08-26 US disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
US-20030073704-A1 Substituted pyridone compounds and methods of use AMGEN INC. 2003-04-17 US disclosed
US-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 US disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 US disclosed
US-6096753-A Substituted pyrimidinone and pyridone compounds and methods of use AMGEN INC. (US) 2000-08-01 US disclosed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 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-20030069425-A1 Substituted pyrimidine compounds and methods of use DPYD, IL6, IL1B GABRP 3307/4885GABRD 3407/4885GABRA1 3343/4885
US-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A GABRP 2354/4885GABRD 2806/4885GABRA1 2448/4885

“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.