Sugi Predict

Sugi Predict / Compounds / SCHEMBL5757236

SCHEMBL5757236

SCHEMBL5757236

Cc1cccc2c1CCCN2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 9/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ PARP10 Q53GL7 1/20 0.46
▸ PARP11 Q9NR21 1/20 0.46
▸ GRIA1 P42261 1/20 0.42
▸ GRIA2 P42262 1/20 0.42
▸ GRIA3 P42263 1/20 0.42
▸ GRIA4 P48058 1/20 0.42
▸ HTR5A P47898 1/20 0.40
▸ UHRF1 Q96T88 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ HTR1D P28221 1/20 0.37

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
SCHEMBL30826409 1.00 NUDT1 (0.47) NUDT1PARP1PARP10PARP11GRIA1
SCHEMBL31170775 0.94 PARP1 (0.44) NUDT1PARP1PARP10PARP11GRIA1
SCHEMBL6221804 0.94 PARP1 (0.44) NUDT1PARP1PARP10PARP11GRIA1
SCHEMBL1031349 0.89 PARP1 (0.56) NUDT1PARP1PARP10PARP11HTR5A
Hydrochloric Acid SCHEMBL2260204 0.88 PARP1 (0.55) NUDT1PARP1PARP10PARP11HTR5A
SCHEMBL23564778 0.78 GRIA1 (0.41) NUDT1PARP1GRIA1GRIA2GRIA3
SCHEMBL1119380 0.78 BCL2L1 (0.48) NUDT1PARP1GRIA1GRIA2GRIA3
SCHEMBL17969115 0.78 GRIA1 (0.41) NUDT1PARP1GRIA1GRIA2GRIA3
SCHEMBL2269074 0.78 NUDT1 (0.46) NUDT1PARP1GRIA1GRIA2GRIA3
SCHEMBL2260714 0.78 GRIA1 (0.41) NUDT1GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118204084-A Preparation method of silicon oxide modified metal-based catalyst and application of silicon oxide modified metal-based catalyst in preparation of cyclic amine compounds 浙江恒逸石化研究院有限公司 2024-06-18 — — CN claimed
EP-3630770-B1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS INC (US) 2024-08-28 — — EP disclosed
WO-2024015251-A1 INHIBITORS OF HPK1 AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2024-01-18 — — WO disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 — — US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 — — US disclosed
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 — — EP disclosed
US-20230210854-A1 MONO- AND COMBINATION THERAPIES RECURIUM IP HOLDINGS, LLC 2023-07-06 — — US disclosed
US-20230210854-A1 MONO- AND COMBINATION THERAPIES RECURIUM IP HOLDINGS, LLC 2023-07-06 — — US disclosed
WO-2023110138-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-22 — — WO disclosed
US-20230150978-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER ENYO PHARMA (FR) 2023-05-18 — — US disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 — — US disclosed
US-7157463-B2 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-02 — — US disclosed
US-7157463-B2 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-02 — — US disclosed
US-7101869-B2 2,4-diaminopyrimidine compounds useful as immunosuppressants PFIZER INC. (US) 2006-09-05 — — US disclosed
EP-0908458-B1 Substituted pyridylmethylpiperazine and piperidine derivatives, their preparation and their use for treating central nervous system (CNS) disorders DUPHAR INT RES (NL) 2006-01-25 — — EP disclosed
EP-1242403-B1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PROD INC (US) 2006-01-04 — — EP disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 — — US disclosed
US-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants BLUMENKOPF TODD A (US) 2003-10-09 — — US disclosed
US-5047539-A Ultraviolet radiation stabilizers BASF AKTIENGESELLSCHAFT (DE) 1991-09-10 — — US disclosed
EP-0399278-A2 Heterocyclic amidine derivatives BASF Aktiengesellschaft (DE) 1990-11-28 — — EP 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 (5 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-20230150978-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER NQO2, NQO1, NDUFV2 NUDT1 190/4885PARP1 495/4885PARP10 735/4885
US-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants CCR1, AOC1, NOD1 NUDT1 71/4885PARP1 2900/4885PARP10 4510/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 NUDT1 32/4885PARP1 954/4885PARP10 1162/4885
US-20230210854-A1 MONO- AND COMBINATION THERAPIES TP53, BRCA1, MCL1 NUDT1 1222/4885PARP1 12/4885PARP10 84/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NUDT1 2631/4885PARP1 1960/4885PARP10 2281/4885

“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.