SCHEMBL13680595

SCHEMBL13680595

Cc1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)o1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.53
CACNG8 Q8WXS5 5/20 0.53
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
GAA P10253 4/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.47
THRB P10828 2/20 0.47
TERT O14746 2/20 0.47
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
GSK3B P49841 4/20 0.41

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
SCHEMBL18539960 0.81 GRIA1 (0.46) GRIA1CACNG8PDE3BPDE3AGAA
SCHEMBL13680594 0.78 NOS1 (0.58) PDE3BPDE3ALMNAGSK3B
SCHEMBL13680599 0.76 CA12 (0.54) PDE3BPDE3AMAPTTHRBGSK3B
SCHEMBL13680976 0.73 MAPT (0.50) GRIA1CACNG8PDE3BPDE3AGAA
SCHEMBL13680597 0.71 ALDH1A1 (0.55) PDE3BPDE3AGAAMAPTTP53
SCHEMBL23197679 0.71 TDP1 (0.56) GAAMAPTLMNATDP1GSK3B
SCHEMBL18551785 0.70 BRD4 (0.50) GSK3B
SCHEMBL13680470 0.70 NPC1 (0.50) GAA
SCHEMBL1180863 0.70 JAK2 (0.55) GSK3B
SCHEMBL8264638 0.69 GRIA1 (0.65) GRIA1CACNG8PDE3BPDE3ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 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-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES GRK6, GRK2, GRK3 GRIA1 17/4885CACNG8 791/4885PDE3B 915/4885

“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.