SCHEMBL1592947

SCHEMBL1592947

CC1C(=O)N(Nc2cc(CN3CCN(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)c3ccc(Br)cc3n2)C(=O)C1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
BACE1 P56817 3/20 0.36
NSD2 O96028 1/20 0.35
DNMT3A Q9Y6K1 1/20 0.35
TP53 P04637 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL1592423 0.93 CA12 (0.41) FPR2CA12CA1CA2CA4
SCHEMBL1592944 0.91 TP53 (0.38) FPR2IRAK4OPRM1OPRD1OGFRL1
SCHEMBL3633042 0.89 TRPV6 (0.36) TP53
SCHEMBL1592457 0.85 DNMT3A (0.42) FPR2USP30BACE1NSD2DNMT3A
SCHEMBL13906846 0.84 IRAK4 (0.40) FPR2IRAK4OPRM1OPRD1OGFRL1
SCHEMBL1592563 0.84 CA12 (0.38) CA12CA1CA2CA4CA5A
SCHEMBL23872051 0.83 TP53 (0.38) IRAK4OPRM1OPRD1OGFRL1CA12
SCHEMBL5005013 0.83 CA12 (0.37) CA12CA1CA2CA4CA5A
SCHEMBL1592421 0.82 CA12 (0.41) CA12CA1CA2CA4CA5A
SCHEMBL3640814 0.81 POLB (0.38) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US claimed
US-8084454-B2 Cell cycle G2-checkpoint-abrogating 1-[(2-pyridyl)amino]-azoline-2,5-dione derivatives with at least one halogen group, to selectively sensitize cancer cells to DNA damaging reagents without additional anticarcinogenic treatment; cytolytic agents, antiproliferatives, apoptosis CANBAS CO., LTD. (JP) 2011-12-27 US claimed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 US claimed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 US claimed
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
EP-4074704-A1 QUINOLINE COMPOUNDS WITH ANTI-CANCER ACTIVITY CanBas Co., Ltd. (JP) 2022-10-19 EP disclosed
EP-3567035-A1 N-SUBSTITUTED 2,5-DIOXO-AZOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2019-11-13 EP disclosed
EP-3088397-A1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2016-11-02 EP disclosed
US-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US disclosed
US-8084454-B2 Cell cycle G2-checkpoint-abrogating 1-[(2-pyridyl)amino]-azoline-2,5-dione derivatives with at least one halogen group, to selectively sensitize cancer cells to DNA damaging reagents without additional anticarcinogenic treatment; cytolytic agents, antiproliferatives, apoptosis CANBAS CO., LTD. (JP) 2011-12-27 US disclosed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 US disclosed
EP-2152692-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY Canbas Co. Ltd. (JP) 2010-02-17 EP disclosed
WO-2009031040-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2009-03-12 WO disclosed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 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 (3 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-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CDKN1A, CDC25C, DDB1 FPR2 4497/4885IRAK4 4586/4885OPRM1 4877/4885
US-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 FPR2 4497/4885IRAK4 4586/4885OPRM1 4877/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 FPR2 3925/4885IRAK4 2238/4885OPRM1 4433/4885

“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.