SCHEMBL802216

SCHEMBL802216

Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.63
ABCG2 Q9UNQ0 15/20 0.52
MAP4K4 O95819 1/20 0.52
ABL1 P00519 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
LTK P29376 1/20 0.52
KDR P35968 1/20 0.52
MAP2K2 P36507 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
CLK2 P49760 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52
CDK5 Q00535 1/20 0.52
MAP2K1 Q02750 1/20 0.52
ACVR1 Q04771 1/20 0.52
PTK2 Q05397 1/20 0.52

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
SCHEMBL801601 0.92 IGF1R (0.55) IGF1RABCG2MAP4K4ABL1LCK
SCHEMBL801997 0.90 IGF1R (0.53) IGF1RABCG2MAP4K4ABL1LCK
SCHEMBL802627 0.87 IGF1R (0.51) IGF1RABCG2MAP4K4ABL1LCK
SCHEMBL802285 0.85 ABCG2 (0.62) IGF1RABCG2MAP4K4ABL1LCK
SCHEMBL13055164 0.81 IGF1R (0.47) IGF1RABCG2MAP4K4ABL1LCK
SCHEMBL802215 0.81 MEN1 (0.64) IGF1RABCG2MAP4K4ABL1LCK
SCHEMBL5257796 0.81 IGF1R (0.49) IGF1RMAP4K4ABL1LCKFYN
SCHEMBL802286 0.79 ITK (0.69) IGF1RABCG2MAP4K4ABL1LCK
SCHEMBL12430959 0.79 IGF1R (0.55) IGF1RLCKMEN1NPC1RAB9A
SCHEMBL12430961 0.79 IGF1R (0.57) IGF1RLCKMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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 (3 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A IGF1R 540/4885ABCG2 1614/4885MAP4K4 243/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 IGF1R 293/4885ABCG2 2285/4885MAP4K4 631/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A IGF1R 540/4885ABCG2 1614/4885MAP4K4 243/4885

“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.