SCHEMBL14778668

SCHEMBL14778668

CN1C(=O)CCc2nc(-c3cncc(C(N)=O)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 4/20 0.42
▸ MKNK2 Q9HBH9 4/20 0.42
▸ CYP11B2 P19099 12/20 0.40
▸ CYP11B1 P15538 11/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP19A1 P11511 2/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ SCN9A Q15858 1/20 0.38
▸ SYK P43405 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ BMPR1B O00238 1/20 0.36
▸ BMPR1A P36894 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ ACVRL1 P37023 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36

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
SCHEMBL14779503 0.87 CYP11B2 (0.45) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL14778670 0.81 CYP11B1 (0.44) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL31259931 0.81 CYP11B1 (0.44) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL14780274 0.81 CYP11B1 (0.44) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL14778924 0.79 CYP11B1 (0.64) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL14778968 0.78 CYP11B1 (0.47) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL14780358 0.77 CYP11B1 (0.61) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL14779757 0.76 CYP11B1 (0.44) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL745462 0.73 ACVRL1 (0.62) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL14789797 0.72 CYP11B2 (0.47) CYP11B2CYP11B1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755963-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 — — EP claimed
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CINCOR PHARMA, INC. 2013-03-21 — — US claimed
WO-2013037779-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 — — WO claimed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 — — EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 — — EP disclosed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 — — US disclosed
EP-2755963-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 — — EP disclosed
WO-2013037779-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 — — WO disclosed
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CINCOR PHARMA, INC. 2013-03-21 — — 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-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 MKNK1 2898/4885MKNK2 2882/4885CYP11B2 2/4885

“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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