Sugi Predict

Sugi Predict / Compounds / SCHEMBL589729

SCHEMBL589729

SCHEMBL589729

COc1cc(F)cc(S(=O)(=O)c2ccc3c(c2)c(N)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.38
▸ PTGS2 P35354 3/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ HTR6 P50406 5/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ F2 P00734 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ LOXL2 Q9Y4K0 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL591210 0.90 HTR6 (0.37) PTGS2PTGS1HTR6LMNAHTT
SCHEMBL591453 0.85 HTR6 (0.41) PTGS2HTR6HTR2A
SCHEMBL590367 0.82 NAMPT (0.41) NAMPTPTGS2PTGS1HTR6F2
SCHEMBL590715 0.82 HTR6 (0.38) HTR6LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL591582 0.72 ALDH1A1 (0.36) NAMPTMEN1KMT2ALMNATSHR
SCHEMBL591102 0.71 ABCC9 (0.35) NAMPTHTR6MEN1KMT2ALMNA
SCHEMBL3510535 0.69 CNR2 (0.34) MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3511654 0.69 NTRK1 (0.37) —
SCHEMBL26130120 0.68 ACSS2 (0.45) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL26131198 0.68 FGFR1 (0.42) PTGS1HTR6MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120932-B1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2014-07-09 — — EP disclosed
US-8114865-B2 Indazole derivatives as kinase inhibitors for the treatment of cancer NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-14 — — US disclosed
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-08-05 — — US disclosed
EP-2120932-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 — — EP disclosed
WO-2008074749-A9 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2009-05-07 — — WO disclosed
WO-2008074749-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 — — 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-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER MAP3K5, MAP3K19, MAP3K3 NAMPT 1861/4885PTGS2 2243/4885PTGS1 1929/4885

“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.