SCHEMBL6936004

SCHEMBL6936004

COc1ccccc1C(=O)C=Cc1ccncc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.80
CYP3A4 P08684 3/20 0.67
CYP1A1 P04798 5/20 0.58
CYP1A2 P05177 5/20 0.58
CYP2D6 P10635 5/20 0.58
CYP1B1 Q16678 5/20 0.58
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
ABCB1 P08183 1/20 0.57
MAOB P27338 2/20 0.54
CYP2C8 P10632 1/20 0.53
AR P10275 1/20 0.53
CAPN1 P07384 1/20 0.52
PARP1 P09874 1/20 0.52
MAOA P21397 1/20 0.52

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
SCHEMBL6936000 1.00 ABCG2 (0.80) ABCG2CYP3A4CYP1A1CYP1A2CYP2D6
SCHEMBL4254944 0.88 ABCG2 (0.90) ABCG2CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL4254947 0.88 ABCG2 (0.90) ABCG2CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL15631510 0.85 ABCG2 (0.91) ABCG2CYP3A4CYP2D6MEN1NPC1
SCHEMBL20339099 0.84 ABCG2 (0.88) ABCG2CYP3A4CYP2D6MEN1MAPT
SCHEMBL20339098 0.84 ABCG2 (0.88) ABCG2CYP3A4CYP2D6MEN1MAPT
SCHEMBL12484491 0.82 ABCG2 (0.78) ABCG2CYP3A4CYP1A1CYP1A2CYP1B1
Dilmefone SCHEMBL2109149 0.82 ABCG2 (0.82) ABCG2CYP3A4CYP1A1CYP1A2CYP2D6
SCHEMBL12484495 0.82 ABCG2 (0.78) ABCG2CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL25237374 0.81 ABCG2 (0.83) ABCG2CYP3A4CYP2D6CYP1B1MEN1

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
US-6649604-B2 Analgesics; antidiabetic agents; antiinflamamtory agents AMGEN INC. 2003-11-18 US disclosed
US-20030073704-A1 Substituted pyridone compounds and methods of use AMGEN INC. 2003-04-17 US disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
US-6096753-A Substituted pyrimidinone and pyridone compounds and methods of use AMGEN INC. (US) 2000-08-01 US disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed
US-4294841-A ANTIARRHYTHMIA AGENTS PHARMINDUSTRIE (FR) 1981-10-13 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 (1 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-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A ABCG2 1811/4885CYP3A4 340/4885CYP1A1 201/4885

“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.