Sugi Predict

Sugi Predict / Compounds / SCHEMBL1716804

SCHEMBL1716804

SCHEMBL1716804

CC(C)n1ncc(C(N)=O)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.47
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.38
▸ RET P07949 5/20 0.38
▸ TYK2 P29597 4/20 0.36
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 3/20 0.36
▸ JAK3 P52333 3/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ AURKA O14965 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ ABL1 P00519 1/20 0.34

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
SCHEMBL1694496 0.85 KDM4E (0.48) RIPK2RAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL1164175 0.81 RIPK2 (0.44) RIPK2TSHRRAB9ALMNASMN1; SMN2
SCHEMBL25298578 0.80 JAK2 (0.38) RIPK2TSHRKDM4ETYK2JAK2
SCHEMBL15417573 0.78 RIPK2 (0.42) RIPK2TSHRRAB9ALMNASMN1; SMN2
SCHEMBL1694898 0.77 TSHR (0.59) TSHRRAB9ALMNASMN1; SMN2KDM4E
SCHEMBL174225 0.75 RIPK2 (0.51) RIPK2TSHRRAB9ALMNASMN1; SMN2
SCHEMBL15651629 0.74 ADORA2A (0.36) KDM4ERETADORA2AADORA1AURKA
SCHEMBL2076997 0.74 TSHR (0.54) RIPK2TSHRRAB9ALMNASMN1; SMN2
SCHEMBL2990520 0.73 ALDH1A1 (0.38) RIPK2KDM4ERETTYK2JAK2
SCHEMBL18156639 0.72 RIPK2 (0.53) RIPK2TSHRRAB9ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270750-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-08-15 — — US disclosed
EP-4346806-A2 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE Biocryst Pharmaceuticals, Inc. (US) 2024-04-10 — — EP disclosed
CN-117529315-A Imidazole-containing ALK2 kinase inhibitors 生物水晶制药公司 2024-02-06 — — CN disclosed
CN-116438179-A Pyrazole derivatives as RET kinase inhibitors 伊莱利利公司 2023-07-14 — — CN disclosed
WO-2022251188-A2 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE BIOCRYST PHARMACEUTICALS, INC. (US) 2022-12-01 — — WO disclosed
US-20190177327-A1 SUBSTITUTED METHYL PYRAZOLOPYRIMIDINONE AND METHYL IMIDAZOPYRAZINONE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2019-06-13 — — US disclosed
US-20170273985-A1 TRICYCLIC DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-28 — — US disclosed
US-20170273985-A1 TRICYCLIC DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-28 — — US disclosed
US-20170273985-A1 TRICYCLIC DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-28 — — US disclosed
WO-2016042775-A1 TRICYCLIC DERIVATIVE SUNOVION PHARMACEUTICALS INC. (US) 2016-03-24 — — WO disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 — — US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 — — US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 — — US disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 — — WO disclosed
CN-101687876-A amino-heterocyclic compounds PFIZER 2010-03-31 — — CN disclosed
EP-2152712-A1 AMINO-HETEROCYCLIC COMPOUNDS Pfizer Inc. (US) 2010-02-17 — — EP disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 — — US disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 — — US disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 — — US disclosed
WO-2008139293-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2008-11-20 — — 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 (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-20170273985-A1 TRICYCLIC DERIVATIVE PDE3A, PDE2A, PDE5A RIPK2 4205/4885TSHR 4111/4885RAB9A 2397/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A RIPK2 4117/4885TSHR 1887/4885RAB9A 21/4885
US-20190177327-A1 SUBSTITUTED METHYL PYRAZOLOPYRIMIDINONE AND METHYL IMIDAZOPYRAZINONE COMPOUNDS AS PDE1 INHIBITORS PDE3A, PDE5A, PDE4A RIPK2 1234/4885TSHR 447/4885RAB9A 292/4885
US-20240270750-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A RIPK2 77/4885TSHR 3668/4885RAB9A 2837/4885
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A RIPK2 3762/4885TSHR 1609/4885RAB9A 16/4885

“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.