SCHEMBL29620683

SCHEMBL29620683

c1cnc2c(c1)NCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP19A1 P11511 3/20 0.34
ACHE P22303 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TBXAS1 P24557 2/20 0.32
TSHR P16473 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
IDH1 O75874 2/20 0.32
NUDT1 P36639 1/20 0.31
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL307955 1.00 BCHE (0.35) BCHECYP11B2CYP19A1ACHEMAPT
SCHEMBL5233554 0.94 ACHE (0.37) BCHECYP11B2CYP19A1ACHETBXAS1
SCHEMBL29429214 0.94 ACHE (0.37) BCHECYP11B2CYP19A1ACHETBXAS1
Carbamic Acid SCHEMBL16823528 0.89 KDM4E (0.41) BCHECYP11B2MAPTKDM4ETBXAS1
SCHEMBL29550114 0.87
SCHEMBL157325 0.87
Hydrochloric Acid SCHEMBL29651204 0.85 ALDH1A1 (0.35) BCHEACHEKDM4ECYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL31159090 0.85 ALDH1A1 (0.35) BCHEACHEKDM4ECYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL27985804 0.85 ALDH1A1 (0.35) BCHEACHEKDM4ECYP1A2SMN1; SMN2
SCHEMBL28659623 0.82 CYP19A1 (0.32) CYP19A1ACHETBXAS1IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof GENENTECH, INC. (US) 2023-03-28 US claimed
CN-110894198-B Xanthine compound and preparation method and application thereof 齐鲁制药有限公司 2022-12-02 CN claimed
CN-114539154-A Method for efficiently preparing multi-substituted pyrazole derivatives in aqueous phase 湖北科技学院 2022-05-27 CN claimed
US-12378249-B2 Isoquinoline compounds and uses thereof GENENTECH, INC. (US) 2025-08-05 US disclosed
EP-4532408-A1 CATALYTIC SYSTEM FOR STORING AND RELEASING OF HYDROGEN FROM LIQUID ORGANIC HYDROGEN CARRIERS Umicore AG & Co. KG (DE) 2025-04-09 EP disclosed
CN-116478129-B Quinoline compound and use thereof 深圳默元生物科技有限公司 2025-01-07 CN disclosed
CN-111201021-B Chroman monocyclic beta-lactams for the treatment of bacterial infections 默沙东有限责任公司 2024-08-23 CN disclosed
CN-118496221-A Chroman monocyclic beta-lactams for the treatment of bacterial infections 默沙东有限责任公司 2024-08-16 CN disclosed
WO-2024131942-A1 CYCLOPROPANE TLR7 AND TLR8 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海深势唯思科技有限责任公司 2024-06-27 WO disclosed
US-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES INC (US) 2023-11-02 US disclosed
CN-116478129-A Quinoline compound and use thereof 深圳默元生物科技有限公司 2023-07-25 CN disclosed
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof GENENTECH, INC. (US) 2023-03-28 US disclosed
CN-113264816-B Spiro [ cyclopropane-1, 2' -indene ] -1',3' -diketone derivative and synthetic method thereof 湖北科技学院 2023-03-24 CN disclosed
CN-110894198-B Xanthine compound and preparation method and application thereof 齐鲁制药有限公司 2022-12-02 CN disclosed
CN-114539154-A Method for efficiently preparing multi-substituted pyrazole derivatives in aqueous phase 湖北科技学院 2022-05-27 CN 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-12378249-B2 Isoquinoline compounds and uses thereof HIPK1, HPGDS, IP6K1 BCHE 3222/4885CYP11B2 1391/4885CYP19A1 1907/4885
US-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 BCHE 3468/4885CYP11B2 206/4885CYP19A1 61/4885
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof PHKG1, MAP4K5, HIPK1 BCHE 3370/4885CYP11B2 1790/4885CYP19A1 2132/4885

“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.