SCHEMBL30029436

SCHEMBL30029436

O=C(O)c1cc(N2CCOCC2)cc2[nH]cnc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3C2B O00750 8/20 0.44
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CD O00329 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ KMO O15229 2/20 0.43
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAG3 Q9UGI9 1/20 0.42
▸ PRKAG2 Q9UGJ0 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ SLC16A3 O15427 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ PKM P14618 1/20 0.40
▸ PIK3R1 P27986 1/20 0.40

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
SCHEMBL17292508 1.00 PIK3C2B (0.44) PIK3C2BPIK3CAPIK3CDPIK3CBAKT1
Hydrochloric Acid SCHEMBL29358507 0.99 PIK3C2B (0.43) PIK3C2BPIK3CAPIK3CDPIK3CBAKT1
SCHEMBL27903775 0.76 DHODH (0.54) PIK3C2BPIK3CDPIK3CBPIK3R1
SCHEMBL27921732 0.74 PIK3C2B (0.46) PIK3C2BPIK3CDPIK3CBKMOSLC16A3
SCHEMBL23123114 0.74 PDE10A (0.44) PIK3CAPIK3CDPIK3CBPOLB
SCHEMBL27921643 0.74 KDM4E (0.51) PIK3C2BPIK3CDPIK3CBSLC16A3PKM
SCHEMBL25771647 0.71 POLB (0.49) PIK3CAKMOSLC16A3POLBPKM
SCHEMBL11664269 0.71 PARP1 (0.44) —
SCHEMBL19657112 0.71 HTT (0.47) POLB
SCHEMBL17758496 0.71 BRD4 (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324861-A1 3,4-DIHYDRO-2,7-NAPHTHYRIDINE-1,6(2H,7H)-DIONES AS MEK INHIBITORS PFIZER INC. (US) 2022-10-13 — — 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-20220324861-A1 3,4-DIHYDRO-2,7-NAPHTHYRIDINE-1,6(2H,7H)-DIONES AS MEK INHIBITORS NRAS, KRAS, MAPK1 PIK3C2B 481/4885PIK3CA 98/4885PIK3CD 175/4885

“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.

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