SCHEMBL5482113

SCHEMBL5482113

CN(C)CCCOc1nc(Nc2cc(C3CC3)[nH]n2)nc(Sc2ccc3ncsc3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 15/20 0.42
▸ SRC P12931 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ PFKFB3 Q16875 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ NTRK1 P04629 1/20 0.36

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
SCHEMBL4829859 0.87 IGF1R (0.44) IGF1R
SCHEMBL5069055 0.71 NEK1 (0.38) IGF1RSRCGSK3BAURKB
SCHEMBL12430994 0.70 PAK4 (0.46) IGF1RSRCGSK3B
SCHEMBL13054674 0.69 IGF1R (0.45) IGF1RSRCGSK3BAURKBAURKA
SCHEMBL5481449 0.69 AURKA (0.54) SRCGSK3BAURKBAURKANTRK1
SCHEMBL12430984 0.69 GSK3B (0.45) IGF1RSRCGSK3BAURKBNTRK1
SCHEMBL12430855 0.68 AURKB (0.59) IGF1RSRCGSK3BAURKBAURKA
SCHEMBL4959505 0.68 IGF1R (0.66) IGF1R
SCHEMBL10294900 0.65 ULK1 (0.50) IGF1RSRCGSK3BAURKBAURKA
SCHEMBL5958903 0.65 IGF1R (0.43) IGF1RSRCGSK3BAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345928-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2007-02-14 — — EP claimed
US-20040167141-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 — — US claimed
JP-2004516292-A — — 2004-06-03 — — JP claimed
EP-1345928-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-09-24 — — EP claimed
US-20030022885-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-30 — — US claimed
WO-2002050066-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-06-27 — — WO claimed
US-20140187772-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-07-03 — — US disclosed
US-20130096128-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-04-18 — — US disclosed
US-8304414-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-06 — — US disclosed
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 — — US disclosed
US-7427681-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-23 — — 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 (5 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-20040167141-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B IGF1R 1037/4885SRC 369/4885GSK3B 3/4885
US-20030022885-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B IGF1R 1037/4885SRC 369/4885GSK3B 3/4885
US-20130096128-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 IGF1R 781/4885SRC 429/4885GSK3B 4/4885
US-20140187772-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 IGF1R 781/4885SRC 429/4885GSK3B 4/4885
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 IGF1R 781/4885SRC 429/4885GSK3B 4/4885

“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.

Send feedback