SCHEMBL4952013

SCHEMBL4952013

Cc1nc(Nc2ccc3[nH]ncc3c2)nc(N)c1-c1cc(C2CC2)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 2/20 0.51
▸ ROCK2 O75116 11/20 0.46
▸ ROCK1 Q13464 3/20 0.45
▸ SYK P43405 1/20 0.43
▸ CDC7 O00311 1/20 0.41
▸ IGF1R P08069 3/20 0.41
▸ MAPKAPK2 P49137 1/20 0.40

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
SCHEMBL2071594 0.81 ULK1 (0.47) ULK1ROCK2ROCK1SYKCDC7
SCHEMBL2071141 0.80 ULK1 (0.44) ULK1ROCK2ROCK1SYKCDC7
SCHEMBL12430952 0.76 IGF1R (0.67) ULK1IGF1R
SCHEMBL5069231 0.75 CDC7 (0.42) ULK1SYKCDC7IGF1R
SCHEMBL4455888 0.72 HCAR2 (0.43) IGF1R
SCHEMBL31471788 0.71 ULK1 (0.93) ULK1ROCK2IGF1R
SCHEMBL12430690 0.71 ULK1 (0.93) ULK1ROCK2IGF1R
SCHEMBL12846046 0.71 ULK1 (0.61) ULK1IGF1R
SCHEMBL1164159 0.71 NEK1 (0.68) ULK1CDC7IGF1R
SCHEMBL2070672 0.71 IGF1R (0.68) ULK1ROCK1IGF1R

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
JP-4160395-B2 — — 2008-10-01 — — JP claimed
EP-1345927-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2006-05-17 — — EP claimed
US-20040214814-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 — — US claimed
JP-2004518703-A — — 2004-06-24 — — JP claimed
EP-1345927-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-09-24 — — EP claimed
WO-2002062789-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-15 — — WO claimed

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-20040214814-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B ULK1 683/4885ROCK2 27/4885ROCK1 42/4885

“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