Sugi Predict

Sugi Predict / Compounds / SCHEMBL3383253

SCHEMBL3383253

SCHEMBL3383253

O=C(Nc1ccc(-c2ccc3c(C(=O)O)n[nH]c3c2)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.59
▸ PLK4 O00444 1/20 0.59
▸ AURKA O14965 1/20 0.59
▸ ROCK2 O75116 1/20 0.59
▸ CHEK2 O96017 1/20 0.59
▸ EGFR P00533 1/20 0.59
▸ LCK P06239 1/20 0.59
▸ FYN P06241 1/20 0.59
▸ CSF1R P07333 1/20 0.59
▸ LYN P07948 1/20 0.59
▸ KIT P10721 1/20 0.59
▸ FLT1 P17948 1/20 0.59
▸ EPHA2 P29317 1/20 0.59
▸ FLT4 P35916 1/20 0.59
▸ KDR P35968 1/20 0.59
▸ FLT3 P36888 1/20 0.59
▸ BLK P51451 1/20 0.59
▸ RPS6KA3 P51812 1/20 0.59
▸ JAK3 P52333 1/20 0.59
▸ CSNK2A1 P68400 1/20 0.59

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
SCHEMBL3382786 0.93 NTRK1 (0.56) NTRK1PLK4AURKAROCK2CHEK2
SCHEMBL3387414 0.90 NTRK1 (0.57) NTRK1PLK4AURKAROCK2CHEK2
SCHEMBL3385660 0.87 KDR (0.78) NTRK1PLK4AURKAROCK2CHEK2
SCHEMBL3383316 0.86 NTRK1 (0.53) NTRK1PLK4AURKAROCK2CHEK2
SCHEMBL3386584 0.81 KDR (0.63) NTRK1PLK4AURKAROCK2CHEK2
SCHEMBL3384270 0.80 EPHX2 (0.56) NTRK1PLK4AURKAROCK2CHEK2
SCHEMBL3386050 0.80 DDR2 (0.54) NTRK1PLK4AURKAROCK2CHEK2
SCHEMBL3382772 0.79 HDAC6 (0.45) NTRK1PLK4AURKAROCK2CHEK2
SCHEMBL3384952 0.79 NR2E1 (0.56) CSF1RKITMAPTKDM4EPOLB
SCHEMBL3387066 0.78 KDR (0.74) NTRK1PLK4AURKAROCK2CHEK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102239150-A Novel indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INST SCI & TECH 2011-11-09 — — CN claimed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 — — WO claimed
US-8754209-B2 Indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-06-17 — — US disclosed
US-8754209-B2 Indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-06-17 — — US disclosed
US-20120130069-A1 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-05-24 — — US disclosed
US-20120130069-A1 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-05-24 — — US disclosed
CN-102239150-A Novel indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INST SCI & TECH 2011-11-09 — — CN disclosed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 — — WO disclosed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 — — 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 (1 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-20120130069-A1 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT RAF1, RET, KDR NTRK1 209/4885PLK4 121/4885AURKA 255/4885

“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.