SCHEMBL13054523

SCHEMBL13054523

Cc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 3/20 0.44
TNIK Q9UKE5 3/20 0.42
IGF1R P08069 11/20 0.42
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL13054526 0.86 DOT1L (0.51) DOT1LIGF1RAURKA
SCHEMBL13054522 0.85 IGF1R (0.51) DOT1LIGF1R
SCHEMBL13054516 0.83 AURKA (0.49) IGF1RAURKAKDR
SCHEMBL13081786 0.82 SYK (0.38) TNIKIGF1RNPC1ALDH1A1RAB9A
SCHEMBL12510416 0.81 KDM4E (0.56) TNIKIGF1RNPC1RAB9A
SCHEMBL13054520 0.81 PLK1 (0.42) ALDH1A1RAB9AABCC1ABCG2AURKA
SCHEMBL13054530 0.81 IGF1R (0.63) IGF1R
SCHEMBL13054853 0.80 TNIK (0.39) TNIKIGF1RNPC1ALDH1A1RAB9A
SCHEMBL12430938 0.79 MAPT (0.58) TNIKIGF1RNPC1ALDH1A1RAB9A
SCHEMBL13054521 0.79 IGF1R (0.49) IGF1RNPC1ALDH1A1RAB9AAURKA

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 DOT1L 986/4885TNIK 123/4885IGF1R 687/4885

“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.