SCHEMBL9941723

SCHEMBL9941723

CC1(C)OB(c2ccc3cc(N)ncc3c2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 10/20 0.47
LIPG Q9Y5X9 10/20 0.47
PDPK1 O15530 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ABL1 P00519 2/20 0.40
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
SNCA P37840 1/20 0.36
DGAT1 O75907 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 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
SCHEMBL29897337 1.00 LPL (0.47) LPLLIPGPDPK1IRAK4CA1
SCHEMBL19532044 0.94 LPL (0.43) LPLLIPGPDPK1IRAK4CA1
SCHEMBL1293460 0.82 LPL (0.62) LPLLIPGIRAK4CA1CA2
SCHEMBL29644319 0.82 LPL (0.62) LPLLIPGIRAK4CA1CA2
SCHEMBL7600427 0.79 LPL (0.55) LPLLIPGIRAK4SNCADGAT1
SCHEMBL101385 0.79 LPL (0.53) LPLLIPGIRAK4CA1CA2
SCHEMBL20967236 0.79 PDGFRB (0.38) LPLLIPGPDPK1SNCAPDGFRB
SCHEMBL2708689 0.78 LPL (0.59) LPLLIPGIRAK4CA1CA2
SCHEMBL4299809 0.78 LPL (0.59) LPLLIPGIRAK4CA1CA2
SCHEMBL1344397 0.78 KDR (0.43) LPLLIPGIRAK4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637428-B2 Isoquinoline derivatives as SIK2 inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2026-05-26 US disclosed
US-20230045929-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-02-16 US disclosed
US-20230045929-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-02-16 US disclosed
EP-4051664-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS Cancer Research Technology Limited (GB) 2022-09-07 EP disclosed
WO-2021084264-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-05-06 WO disclosed
WO-2021084265-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-05-06 WO disclosed
US-10570149-B2 Tricyclic heterocylic derivatives MERCK PATENT GMBH (DE) 2020-02-25 US disclosed
US-20190300547-A1 TRICYCLIC HETEROCYLIC DERIVATIVES MERCK PATENT GMBH (DE) 2019-10-03 US disclosed
WO-2017202748-A1 TRICYCLIC HETEROCYLIC DERIVATIVES MERCK PATENT GMBH (DE) 2017-11-30 WO disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof GENENTECH, INC. (US) 2016-03-03 US disclosed
US-9206175-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2015-12-08 US disclosed
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-03-27 US disclosed
US-8623889-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2014-01-07 US disclosed
EP-2651899-A2 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2012-12-20 US disclosed
WO-2012080284-A2 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO 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 (7 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-12637428-B2 Isoquinoline derivatives as SIK2 inhibitors SIK2, SIK1, SIK3 LPL 3801/4885LIPG 1454/4885PDPK1 183/4885
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof XDH, CYP2B6, COX6B1 LPL 4863/4885LIPG 4794/4885PDPK1 4737/4885
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 LPL 4863/4885LIPG 4794/4885PDPK1 4737/4885
US-20190300547-A1 TRICYCLIC HETEROCYLIC DERIVATIVES ATR, TTI1, CDK1 LPL 4813/4885LIPG 4573/4885PDPK1 2807/4885
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 LPL 4863/4885LIPG 4794/4885PDPK1 4737/4885
US-20230045929-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS SIK2, SIK3, SIK1 LPL 4544/4885LIPG 2630/4885PDPK1 209/4885
US-10570149-B2 Tricyclic heterocylic derivatives ATR, TTI1, CDK1 LPL 4813/4885LIPG 4573/4885PDPK1 2807/4885

“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.