Sugi Predict

Sugi Predict / Compounds / SCHEMBL4977848

SCHEMBL4977848

SCHEMBL4977848

C1CN2CCNC[C]2CN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.39
▸ ADRB1 P08588 6/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTR3E A5X5Y0 2/20 0.39
▸ HTR3B O95264 2/20 0.39
▸ HTR3A P46098 2/20 0.39
▸ HTR3D Q70Z44 2/20 0.39
▸ HTR3C Q8WXA8 2/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ADRB2 P07550 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36

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
SCHEMBL3859847 0.86 — —
SCHEMBL18692327 0.86 — —
SCHEMBL338532 0.80 HTR2C (0.49) HTR2CADRB1ALDH1A1HTR3EHTR3B
SCHEMBL28620324 0.75 — —
SCHEMBL18692533 0.73 — —
SCHEMBL1481868 0.71 ALDH1A1 (0.46) HTR2CADRB1ALDH1A1HTR3EHTR3B
SCHEMBL28691107 0.69 USP2 (0.48) HTR2CADRB1ALDH1A1HTR3EHTR3B
SCHEMBL1481847 0.69 USP2 (0.48) HTR2CADRB1ALDH1A1HTR3EHTR3B
SCHEMBL8414879 0.64 — —
SCHEMBL22530438 0.64 HTR2C (0.36) HTR2CADRB1ALDH1A1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117157299-B Tricyclic heterocyclic derivative, composition and application thereof 北京丹擎医药科技有限公司 2024-05-28 — — CN claimed
US-20240140954-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2024-05-02 — — US claimed
EP-3808749-B1 PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER DISEASES VERTEX PHARMA (US) 2023-03-08 — — EP claimed
EP-3808749-A1 PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER DISEASES Vertex Pharmaceuticals Incorporated (US) 2021-04-21 — — EP claimed
EP-2970286-A1 FUSED PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Inc. (US) 2016-01-20 — — EP claimed
EP-2970289-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Inc. (US) 2016-01-20 — — EP claimed
EP-2970288-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2016-01-20 — — EP claimed
EP-2941432-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Inc. (US) 2015-11-11 — — EP claimed
US-8969360-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-03 — — US claimed
US-8957078-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-17 — — US claimed
US-20140275130-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2014-09-18 — — US claimed
US-20140163000-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-06-12 — — US claimed
WO-2014089379-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-12 — — WO claimed
US-8623862-B2 Derivatives of N-[(1H-pyrazol-1-yl)aryl]-1H-indole or 1H-indazole-3-carboxamide, preparation thereof and applications thereof in therapeutics SANOFI (FR) 2014-01-07 — — US claimed
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 — — US claimed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 — — US claimed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 — — US claimed
US-20040142930-A1 Cyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-22 — — US claimed
US-20030229089-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2003-12-11 — — US claimed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20140163000-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 HTR2C 4800/4885ADRB1 2798/4885ALDH1A1 4170/4885
US-20030229089-A1 Cyclic compounds PDE3B, PDE5A, PDE9A HTR2C 905/4885ADRB1 95/4885ALDH1A1 1341/4885
US-20240140954-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF CYP11B2, SDHA, CYP3A43 HTR2C 496/4885ADRB1 1411/4885ALDH1A1 740/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A HTR2C 758/4885ADRB1 89/4885ALDH1A1 1392/4885
US-20140275130-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 HTR2C 4814/4885ADRB1 2768/4885ALDH1A1 4183/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B HTR2C 1172/4885ADRB1 56/4885ALDH1A1 1483/4885

“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.