SCHEMBL4280154

SCHEMBL4280154

NC(=O)c1ccc2cnccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.62
LCK P06239 1/20 0.56
SMYD3 Q9H7B4 2/20 0.54
CYP3A4 P08684 5/20 0.51
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
SARM1 Q6SZW1 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
SIRT6 Q8N6T7 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
SIRT4 Q9Y6E7 1/20 0.48
HIPK2 Q9H2X6 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47

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
SCHEMBL29522657 1.00 AR (0.62) ARLCKSMYD3CYP3A4F7
SCHEMBL6648425 0.93 AR (0.55) ARLCKSMYD3CYP3A4F7
SCHEMBL29972759 0.93 AR (0.55) ARLCKSMYD3CYP3A4F7
SCHEMBL18318801 0.86 AR (0.64) ARCYP3A4MAP4K4MKNK1MKNK2
SCHEMBL113378 0.83 SMYD3 (0.55) ARSMYD3CYP3A4HIPK2IMPDH2
SCHEMBL29489099 0.83 SMYD3 (0.55) ARSMYD3CYP3A4HIPK2IMPDH2
SCHEMBL2363489 0.82 LCK (0.78) LCKPLAUKDM4E
SCHEMBL12765931 0.81 SMYD3 (0.50) ARSMYD3CYP3A4HIPK2IMPDH2
SCHEMBL3126130 0.81 IMPDH2 (0.53) ARSMYD3CYP3A4HIPK2IMPDH2
Hydrochloric Acid SCHEMBL7557776 0.81 SMYD3 (0.54) ARSMYD3CYP3A4HIPK2IMPDH2

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3536685-B1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS PFIZER (US) 2022-02-16 EP claimed
WO-2019111218-A1 NOVEL HETEROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2019-06-13 WO claimed
CN-105163727-B Stimulate neurogenetic isoquinilone derivatives 豪夫迈·罗氏有限公司 2018-08-17 CN claimed
CN-106458912-A Bicyclic fused heteroaryl or aryl compounds and their use as IRAK4 mimetics 辉瑞公司 2017-02-22 CN claimed
CN-105163727-A Neurogenesis-stimulating isoquinoline derivatives HOFFMANN LA ROCHE 2015-12-16 CN claimed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US claimed
WO-2009150196-A1 N-THIAZOLYL-1, 2, 3, 4-TETRAHYDRO-6-ISOQUINOLINECARBOXAMIDE DERIVATIVES AS INHIBITORS OF STEAROYL COENZYME A DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2009-12-17 WO claimed
EP-2125799-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE Smithkline Beecham Corporation (US) 2009-12-02 EP claimed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 WO claimed
EP-3826722-B1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2026-02-18 EP disclosed
US-12378249-B2 Isoquinoline compounds and uses thereof GENENTECH, INC. (US) 2025-08-05 US disclosed
US-12202836-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2025-01-21 US disclosed
US-12103902-B2 Bicyclic compounds VIVACE THERAPEUTICS, INC. (US) 2024-10-01 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO disclosed
US-5747511-A TREATMENT OF HERPES INFECTIONS SRI INTERNATIONAL (US) 1998-05-05 US disclosed
EP-0712404-A1 NOVEL BENZOTHIOPHENE ANALOGS AS ANTIVIRAL AGENTS STANFORD RES INST INT (US) 1996-05-22 EP disclosed
US-4396619-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1983-08-02 US disclosed
US-4382932-A Isoquinolinium substituted cephalosporins ELI LILLY AND COMPANY (US) 1983-05-10 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 (4 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-12378249-B2 Isoquinoline compounds and uses thereof HIPK1, HPGDS, IP6K1 AR 4768/4885LCK 213/4885SMYD3 2138/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 AR 3804/4885LCK 706/4885SMYD3 3811/4885
US-12103902-B2 Bicyclic compounds YAP1, TEAD2, TEAD3 AR 1088/4885LCK 632/4885SMYD3 1887/4885
US-12202836-B2 Bicyclic-fused heteroaryl or aryl compounds TTR, TYR, ABL1 AR 175/4885LCK 19/4885SMYD3 3117/4885

“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.