Sugi Predict

Sugi Predict / Compounds / SCHEMBL22016869

SCHEMBL22016869

SCHEMBL22016869

CC(C)c1ncc2c(n1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 9/20 0.41
▸ CDK5R1 Q15078 9/20 0.41
▸ CCNA2 P20248 6/20 0.41
▸ CDK2 P24941 6/20 0.41
▸ GRM5 P41594 2/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CCNB1 P14635 2/20 0.37
▸ MAOB P27338 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PRNP P04156 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CCND3 P30281 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 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
SCHEMBL14726025 0.96 CDK5 (0.44) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL24221669 0.94 CDK5 (0.43) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL24197740 0.94 CDK5 (0.43) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL25060990 0.94 CDK5 (0.43) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL24198298 0.94 CDK5 (0.43) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL12915254 0.78 CDK5 (0.42) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL14600872 0.77 CDK5 (0.41) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL19342125 0.76 — —
SCHEMBL18237732 0.75 SMN1; SMN2 (0.49) GRM5MAOBNPC1
SCHEMBL19368147 0.75 HTR2C (0.51) MAOB

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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 — — US disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 — — US disclosed
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-25 — — US disclosed
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-25 — — US disclosed
WO-2023076983-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. (US) 2023-05-04 — — WO disclosed
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
WO-2023011629-A1 PYRROLIDONE DERIVATIVE AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2023-02-09 — — WO disclosed
US-20220411419-A1 SMALL MOLECULE MODULATORS OF MHC-I RETROVIROX, INC. 2022-12-29 — — US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 — — US disclosed
US-11242335-B2 Fluorine-substituted indazole compounds and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-02-08 — — US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 — — US disclosed
US-20210101882-A1 FLUORINE-SUBSTITUTED INDAZOLE COMPOUNDS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-04-08 — — US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 — — 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 (10 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-20220411419-A1 SMALL MOLECULE MODULATORS OF MHC-I CD74, HLA-DRB1, MICA CDK5 516/4885CDK5R1 1103/4885CCNA2 1608/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CDK5 1731/4885CDK5R1 1970/4885CCNA2 2950/4885
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CDK5 4423/4885CDK5R1 3808/4885CCNA2 4625/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CDK5 1731/4885CDK5R1 1970/4885CCNA2 2950/4885
US-11242335-B2 Fluorine-substituted indazole compounds and uses thereof GUCY1B2, GUCY1A2, PDE3A CDK5 475/4885CDK5R1 659/4885CCNA2 1890/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B CDK5 1447/4885CDK5R1 1216/4885CCNA2 3696/4885
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 CDK5 460/4885CDK5R1 708/4885CCNA2 547/4885
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF RIPK1, RIPK3, RIPK4 CDK5 1815/4885CDK5R1 716/4885CCNA2 3341/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 CDK5 1731/4885CDK5R1 1970/4885CCNA2 2950/4885
US-20210101882-A1 FLUORINE-SUBSTITUTED INDAZOLE COMPOUNDS AND USES THEREOF PDE3A, PDE3B, PDE5A CDK5 922/4885CDK5R1 1530/4885CCNA2 4324/4885

“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.