SCHEMBL6797681

SCHEMBL6797681

Cc1ccc2c(=O)[nH]ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.53
▸ GRM5 P41594 1/20 0.51
▸ CHEK1 O14757 1/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ RPS6KA3 P51812 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ ROCK1 Q13464 8/20 0.45
▸ ROCK2 O75116 4/20 0.45
▸ PRKCD Q05655 2/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ PRKG1 Q13976 1/20 0.45
▸ PKN1 Q16512 1/20 0.45
▸ PKN2 Q16513 1/20 0.45
▸ AAK1 Q2M2I8 1/20 0.45
▸ CDC42BPA Q5VT25 1/20 0.45
▸ Q6ZSR9 Q6ZSR9 1/20 0.45
▸ BMP2K Q9NSY1 1/20 0.45
▸ CDC42BPB Q9Y5S2 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ PRKX P51817 1/20 0.41

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
SCHEMBL1536379 0.84 PARP1 (0.53) PARP1GRM5CHEK1PIM1RPS6KA3
SCHEMBL31038353 0.84 PARP1 (0.53) PARP1GRM5CHEK1PIM1RPS6KA3
SCHEMBL23416324 0.80 GAA (0.48) PARP1GRM5ROCK1ROCK2PRKCD
SCHEMBL23416343 0.79 GRM5 (0.41) PARP1GRM5CHEK1PIM1RPS6KA3
SCHEMBL24347857 0.78 PARP1 (0.52) PARP1GRM5ROCK1ROCK2PRKCD
SCHEMBL17321356 0.78 PARP1 (0.50) PARP1GRM5CHEK1ROCK1ROCK2
SCHEMBL25151218 0.76 PARP1 (0.53) PARP1GRM5CHEK1ROCK1ROCK2
SCHEMBL1551818 0.76 AHR (0.53) PARP1GRM5CHEK1LMNAROCK1
SCHEMBL6005220 0.76 PARP1 (0.53) PARP1GRM5CHEK1ROCK1ROCK2
SCHEMBL1536304 0.76 CHEK1 (0.61) PARP1GRM5CHEK1ROCK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805204-A Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound 云南师范大学 2022-07-29 — — CN claimed
CN-111850631-A High-gloss decorative rhodium-plated layer electroplating solution 金川集团股份有限公司 2020-10-30 — — CN claimed
US-20040122223-A1 Non-natural nucleotides and dinucleotides CELLTECH R & D LIMITED (GB) 2004-06-24 — — US claimed
EP-4739306-A2 POLO-LIKE KINASE 1 INHIBITORS Cervero Therapeutics, LLC (US) 2026-05-13 — — EP disclosed
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 — — WO disclosed
CN-114805204-B Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound 云南师范大学 2023-09-15 — — CN disclosed
US-20230226057-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF FIBROTIC DISEASE TOLREMO THERAPEUTICS AG (CH) 2023-07-20 — — US disclosed
EP-4198034-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2023-06-21 — — EP disclosed
WO-2023104111-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-06-15 — — WO disclosed
US-20230027295-A1 FXIA INHIBITORS AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF SHENZHEN SALUBRIS PHARMACEUTICALS CO., LTD. (CN) 2023-01-26 — — US disclosed
CN-114805204-A Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound 云南师范大学 2022-07-29 — — CN disclosed
WO-2002062816-A1 NON-NATURAL NUCLEOTIDES AND DINUCLEOTIDES CELLTECH R & D LIMITED (GB) 2002-08-15 — — WO disclosed
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 — — US disclosed
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 — — EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 — — US disclosed
EP-0944386-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2001-04-11 — — EP disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 — — EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 — — WO disclosed
EP-0944386-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-09-29 — — EP disclosed
WO-1998025611-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-18 — — 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 (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-20230027295-A1 FXIA INHIBITORS AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF F11, TFPI, F7 PARP1 1733/4885GRM5 4449/4885CHEK1 4878/4885
US-20040122223-A1 Non-natural nucleotides and dinucleotides P2RY1, P2RY11, P2RY13 PARP1 543/4885GRM5 2025/4885CHEK1 2444/4885
US-20230226057-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF FIBROTIC DISEASE CPT1A, SLC10A1, FGF1 PARP1 4183/4885GRM5 3516/4885CHEK1 3801/4885
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 PARP1 3345/4885GRM5 3824/4885CHEK1 3977/4885

“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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