SCHEMBL20489398

SCHEMBL20489398

COCC1(c2ccc(N)nc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
KDM4C Q9H3R0 1/20 0.34
F10 P00742 1/20 0.32
P2RY1 P47900 1/20 0.32
CGAS Q8N884 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31

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
SCHEMBL20489698 0.80 P2RX7 (0.36) KDM4CP2RX7
SCHEMBL26418869 0.77 GABRP (0.37) NOS3NOS2KDM4CGABRPGABRD
SCHEMBL21206771 0.74 HTT (0.42) KDM4CCGASAADAT
SCHEMBL31507973 0.74 NOS3 (0.41) NOS3NOS2PIK3CAMTORGABRP
SCHEMBL23089394 0.71 P2RX7 (0.39) P2RX7
SCHEMBL29814481 0.71 P2RX7 (0.39) P2RX7
SCHEMBL8353676 0.71 L3MBTL1 (0.36) KDM4CF10P2RY1
SCHEMBL29739395 0.71 NOS3 (0.45) NOS3NOS2PIK3CAMTORGABRP
SCHEMBL2676833 0.71 NOS3 (0.45) NOS3NOS2PIK3CAMTORGABRP
SCHEMBL6014687 0.70 POLB (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3372601-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2022-09-21 EP disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
EP-3372601-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-09-12 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 (2 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-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 NOS3 2203/4885NOS2 916/4885KDM4C 502/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 NOS3 1882/4885NOS2 812/4885KDM4C 402/4885

“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.