SCHEMBL8317662

SCHEMBL8317662

Cn1c(=O)[nH]c(=O)c2[nH]ccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
MPO P05164 3/20 0.44
OPRM1 P35372 1/20 0.44
BRD4 O60885 4/20 0.44
LMNA P02545 1/20 0.41
BRD2 P25440 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TAF1 P21675 1/20 0.38
BRPF1 P55201 1/20 0.38
CREBBP Q92793 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TPO P07202 2/20 0.37
PDE2A O00408 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL21183489 0.85 RXFP1 (0.49) RXFP1MPOOPRM1BRD4LMNA
SCHEMBL13238204 0.71 ADORA2B (0.52) BRD4LMNAALDH1A1TAF1BRPF1
SCHEMBL613034 0.71 ADORA2A (0.46) BRD4LMNATAF1BRPF1CREBBP
SCHEMBL12687273 0.69 TYMP (0.51) BRD4ALDH1A1KDM4EMAPT
SCHEMBL24559423 0.68 OPRM1 (0.38) RXFP1MPOOPRM1BRD4ALDH1A1
SCHEMBL6690334 0.68 RXFP1 (0.40) RXFP1LMNAALDH1A1KDM4EGAA
SCHEMBL5033267 0.67 GPR3 (0.52) LMNAALDH1A1KDM4EGAAPDE2A
SCHEMBL10957749 0.66 CSNK2A2 (0.43) RXFP1OPRM1ALDH1A1KDM4EGAA
SCHEMBL13384603 0.66 ATAD2 (0.41) BRD4LMNATAF1BRPF1CREBBP
SCHEMBL14191781 0.65 BRD4 (0.33) BRD4TAF1BRPF1CREBBPCECR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE INVOX PHARMA LIMITED (GB) 2022-06-02 US disclosed
EP-3180342-A1 PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE DERIVATIVES Hydra Biosciences, Inc. (US) 2017-06-21 EP disclosed
WO-2016023831-A1 PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE DERIVATIVES HYDRA BIOSCIENCES, INC. (US) 2016-02-18 WO disclosed
WO-2004067006-A1 COMBINATION OF A PDE IV INHIBITOR AND A TNF-ALPHA ANTAGONIST PHARMACIA CORPORATION (US) 2004-08-12 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-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE STING1, CGAS, MAVS RXFP1 888/4885MPO 794/4885OPRM1 1946/4885

“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.