SCHEMBL3418337

SCHEMBL3418337

C=CCNc1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 18/20 0.59
TYMP P19971 2/20 0.46

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
SCHEMBL11617597 0.77 ALDH1A1 (0.41) GPR84
SCHEMBL11376319 0.72 GPR84 (0.75) GPR84TYMP
SCHEMBL8709983 0.72 GPR84 (0.77) GPR84TYMP
SCHEMBL27172466 0.70 GPR84 (0.56) GPR84TYMP
SCHEMBL7967579 0.69 UNG (0.58)
SCHEMBL7563397 0.69 GPR84 (0.73) GPR84TYMP
SCHEMBL12219726 0.69 GPR84 (0.90) GPR84TYMP
SCHEMBL28298641 0.68 KDM4C (0.46) GPR84
SCHEMBL3261738 0.68 GPR84 (1.00) GPR84TYMP
SCHEMBL8974784 0.67 GPR84 (0.50) GPR84

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-8877765-B2 Highly soluble pyrimido-dione-quinoline compounds and their use in the treatment of cancer THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-11-04 US disclosed
US-20100056549-A1 HIGHLY SOLUBLE PYRIMIDO-DIONE-QUINOLINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2010-03-04 US disclosed
WO-2007146375-A2 HIGHLY SOLUBLE PYRIMIDO-DIONE-QUINOLINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-12-21 WO disclosed
US-7253176-B1 Immunosuppressive effects of 8-substituted xanthine derivatives K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2007-08-07 US disclosed
EP-0956855-B1 Immunosuppressive effects of 8 substituted xanthine derivatives LEUVEN K U RES & DEV (BE) 2003-03-12 EP disclosed
US-6177437-B1 VIRICIDES UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER 2001-01-23 US disclosed
EP-0956855-A1 Immunosuppressive effects of 8-substituted xanthine derivatives K.U. Leuven Research & Development (BE) 1999-11-17 EP 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-20100056549-A1 HIGHLY SOLUBLE PYRIMIDO-DIONE-QUINOLINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER DPYD, DHFR, DHPS GPR84 1025/4885TYMP 5/4885

“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.