SCHEMBL802578

SCHEMBL802578

Fc1cc(F)c2n[nH]c(Nc3nc(-c4ccccc4)nc4c3CCCC4)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.50
PDE4B Q07343 2/20 0.45
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
LMNA P02545 3/20 0.37
ACHE P22303 1/20 0.37
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
VCP P55072 1/20 0.37
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRC P12931 1/20 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
SCHEMBL786140 0.83 IGF1R (0.51) IGF1RPDE4BHTR2AHTR2CHTR2B
SCHEMBL801613 0.82 ABCG2 (0.54) LMNAAURKAAURKBGSK3AGSK3B
SCHEMBL5255808 0.78 IGF1R (0.52) IGF1RPDE4BHTR2AHTR2CHTR2B
SCHEMBL802244 0.72 GSK3A (0.61) IGF1RPDE4BLMNAVCPUSP1
SCHEMBL786497 0.71 IGF1R (0.56) IGF1RPDE4BLMNAAURKAAURKB
SCHEMBL801533 0.71 IGF1R (0.71) IGF1RPDE4BAURKAAURKBGSK3A
SCHEMBL801830 0.71 GSK3A (0.60) IGF1RPDE4BLMNAVCPUSP1
SCHEMBL801571 0.71 ABCG2 (0.56) LMNAAURKAAURKBGSK3AGSK3B
SCHEMBL801536 0.70 IGF1R (0.70) IGF1RPDE4BAURKAAURKBGSK3A
SCHEMBL786502 0.70 IGF1R (0.55) IGF1RPDE4BLMNAAURKAAURKB

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-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 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 (2 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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 IGF1R 293/4885PDE4B 3468/4885HTR2A 3676/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A IGF1R 540/4885PDE4B 3723/4885HTR2A 3019/4885

“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.