SCHEMBL6934856

SCHEMBL6934856

O=C(C=Cc1ccncc1)c1ccncc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 11/20 0.70
CYP1A1 P04798 10/20 0.70
CYP1A2 P05177 10/20 0.70
CYP2D6 P10635 9/20 0.70
PFKFB3 Q16875 1/20 0.69
JUN P05412 1/20 0.67
NFKB1 P19838 1/20 0.67
CYP2C8 P10632 1/20 0.59
MAPT P10636 4/20 0.59
TNFRSF1A P19438 2/20 0.59
PLIN1 O60240 1/20 0.59
LMNA P02545 1/20 0.59
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
MAOB P27338 1/20 0.59
RECQL P46063 1/20 0.59
PLIN5 Q00G26 1/20 0.59
ABHD5 Q8WTS1 1/20 0.59
ALDH1A1 P00352 2/20 0.58
F3 P13726 1/20 0.57

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
SCHEMBL6934854 1.00 CYP1B1 (0.70) CYP1B1CYP1A1CYP1A2CYP2D6PFKFB3
SCHEMBL363680 0.90 CYP1B1 (0.75) CYP1B1CYP1A1CYP1A2CYP2D6PFKFB3
SCHEMBL10033954 0.90 CYP1B1 (0.75) CYP1B1CYP1A1CYP1A2CYP2D6PFKFB3
SCHEMBL1390167 0.90 CYP1B1 (0.75) CYP1B1CYP1A1CYP1A2CYP2D6PFKFB3
SCHEMBL5593108 0.90 CYP1B1 (0.75) CYP1B1CYP1A1CYP1A2CYP2D6PFKFB3
SCHEMBL1603994 0.89 F3 (0.76) CYP1B1CYP1A1CYP1A2NFKB1MAPT
SCHEMBL28700731 0.89 F3 (0.76) CYP1B1CYP1A1CYP1A2NFKB1MAPT
SCHEMBL1603995 0.89 F3 (0.76) CYP1B1CYP1A1CYP1A2CYP2D6PFKFB3
SCHEMBL31436374 0.89 F3 (0.76) CYP1B1CYP1A1CYP1A2CYP2D6PFKFB3
SCHEMBL6934335 0.87 CYP1B1 (0.70) CYP1B1CYP1A1CYP1A2CYP2D6JUN

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
CN-115403522-A Biphenyl quinoline skeleton compound with C2 axis chirality, chiral isomer thereof, preparation method and application thereof 中国科学院成都有机化学有限公司 2022-11-29 CN disclosed
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

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 CYP1B1 115/4885CYP1A1 201/4885CYP1A2 276/4885

“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.