Sugi Predict

Sugi Predict / Compounds / SCHEMBL13054853

SCHEMBL13054853

SCHEMBL13054853

Cc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(COc2ccc3c(=O)[nH][nH]c3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 4/20 0.39
▸ IGF1R P08069 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HPGDS O60760 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ FLT3 P36888 3/20 0.35
▸ AURKA O14965 2/20 0.35

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
SCHEMBL13054855 0.86 IGF1R (0.44) IGF1RMAPTMEN1KMT2AKDM4E
SCHEMBL12430958 0.85 TNIK (0.47) TNIKIGF1RALDH1A1MAPTGAA
SCHEMBL13608758 0.84 TNIK (0.45) TNIKIGF1RALDH1A1MAPTGAA
SCHEMBL12430963 0.82 NTRK1 (0.46) TNIKIGF1RALDH1A1MAPTGAA
SCHEMBL12430970 0.82 MAPT (0.44) TNIKIGF1RALDH1A1MAPTGAA
SCHEMBL13054523 0.80 DOT1L (0.44) TNIKIGF1RALDH1A1NPC1RAB9A
SCHEMBL13054918 0.79 PIK3C3 (0.44) AURKAKDRCYP1A2CYP3A4CYP2C19
SCHEMBL13054867 0.79 IGF1R (0.44) IGF1RMAPTMEN1KMT2AL3MBTL1
SCHEMBL12430955 0.76 TNIK (0.43) TNIKIGF1RALDH1A1MAPTGAA
SCHEMBL13055155 0.76 ABCG2 (0.44) TNIKIGF1RALDH1A1MAPTGAA

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
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 — — US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 — — US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 — — US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 — — US 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-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 TNIK 123/4885IGF1R 687/4885ALDH1A1 4243/4885

“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.