Sugi Predict

Sugi Predict / Compounds / SCHEMBL5207433

SCHEMBL5207433

SCHEMBL5207433

CS(=O)(=O)c1c(-c2ccc(Cl)cc2)ncc(C#N)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ CHUK O15111 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ INSR P06213 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MARK3 P27448 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ KDR P35968 1/20 0.43

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
SCHEMBL5210203 0.83 LMNA (0.41) ALDH1A1KDM4ENPSR1MAPTCNR1
SCHEMBL5207597 0.82 PTGS2 (0.40) ALDH1A1KDM4ENPSR1KMT2AMAPT
SCHEMBL27548124 0.73 KDM4E (0.41) ALDH1A1KDM4ENPSR1HPGDADORA1
SCHEMBL27482775 0.72 PTGS2 (0.45) NPSR1ADORA1ADORA2AL3MBTL1PTGS2
SCHEMBL28066 0.70 PTGS2 (0.48) NPSR1L3MBTL1PTGS2FAAH
SCHEMBL27738558 0.70 ADORA1 (0.53) PLK4CHEK1AURKACHUKROCK2
Hydrochloric Acid SCHEMBL27468627 0.69 PTGS2 (0.47) NPSR1L3MBTL1PTGS2FAAH
SCHEMBL27462731 0.68 PTGS2 (0.50) NPSR1ADORA2ACYP1A2CYP2C9CYP2C19
SCHEMBL27465716 0.68 L3MBTL1 (0.43) ALDH1A1KDM4ENPSR1HPGDADORA1
Hydrochloric Acid SCHEMBL27483154 0.68 PTGS2 (0.49) NPSR1ADORA2ACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029921-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK FROSST CANADA & CO. 2004-02-12 — — US claimed
US-20030065011-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK FROSST CANADA & CO. 2003-04-03 — — US claimed
US-20020042375-A1 Method of treating cancer HEIMBROOK DAVID C (US) 2002-04-11 — — US claimed
EP-0912518-A1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-05-06 — — EP claimed
WO-1998003484-A1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-01-29 — — WO claimed
EP-1259235-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-08-01 — — EP disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 — — US disclosed
EP-1404672-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-01-18 — — EP disclosed
US-20050070546-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2005-03-31 — — US disclosed
US-20040242637-A1 Tyrosine kinase inhibitors HARTMAN GEORGE D (US) 2004-12-02 — — US disclosed
US-20040235826-A1 Tyrosine kinase ihnibitors MERCK SHARP & DOHME CORP. 2004-11-25 — — US disclosed
EP-1259236-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2004-11-03 — — EP disclosed
US-20010047007-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2001-11-29 — — US disclosed
US-20010044451-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2001-11-22 — — US disclosed
WO-2001062252-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-08-30 — — WO disclosed
US-6071936-A ANTIINFLAMMATORY AGENTS ANTIPYRETICS, ANALGESICS, ANTICARCINOGENIC AGENTS, SIDE EFFECT REDUCTION MERCK FROSST CANADA & CO. (CA) 2000-06-06 — — US disclosed
US-6001843-A Substituted pyridines as selective cyclooxygenase-2 inhibitors MERCK & CO., INC. (US) 1999-12-14 — — US disclosed
EP-0912518-A1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-05-06 — — EP disclosed
US-5861419-A ANTIINFLAMMATORY AGENTS; ANTIPYRETICS, ANALGESICS; ETORICOXIB PATENT MERCK FROSST CANAD, INC. (CA) 1999-01-19 — — US disclosed
WO-1998003484-A1 SUBSTITUTED PYRIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-01-29 — — 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 (8 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-20040235826-A1 Tyrosine kinase ihnibitors KDR, FLT4, ERBB2 PLK4 728/4885CHEK1 955/4885AURKA 1238/4885
US-20020042375-A1 Method of treating cancer ACP3, KLK3, FOLH1 PLK4 2973/4885CHEK1 4029/4885AURKA 2827/4885
US-20030065011-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors PTGS2, PTGES2, PTGS1 PLK4 4276/4885CHEK1 4144/4885AURKA 4791/4885
US-20010044451-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 PLK4 615/4885CHEK1 499/4885AURKA 918/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 PLK4 615/4885CHEK1 499/4885AURKA 918/4885
US-20010047007-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 PLK4 615/4885CHEK1 499/4885AURKA 918/4885
US-20040029921-A1 Substituted pyridines as selective cyclooxygenase-2 inhibitors PTGS2, PTGES2, PTGS1 PLK4 4276/4885CHEK1 4144/4885AURKA 4791/4885
US-20040242637-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 PLK4 615/4885CHEK1 499/4885AURKA 918/4885

“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.