SCHEMBL1369102

SCHEMBL1369102

CN(C)CC(OC(=O)N1Cc2c(Nc3ncncc3F)n[nH]c2C1(C)C)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 20/20 1.00
CDK2 P24941 3/20 0.69
MAPK1 P28482 1/20 0.68
GSK3B P49841 1/20 0.68
MARK1 Q9P0L2 1/20 0.68

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
SCHEMBL1369099 1.00 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1
Oxirane SCHEMBL3507199 0.97 PAK4 (0.94) PAK4CDK2MAPK1GSK3BMARK1
SCHEMBL3503255 0.89 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1
SCHEMBL3503256 0.89 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1
SCHEMBL1370467 0.88 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1
SCHEMBL1370462 0.88 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1
SCHEMBL3507193 0.88 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1
SCHEMBL13276341 0.88 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1
SCHEMBL1940868 0.86 PAK4 (1.00) PAK4CDK2MAPK1GSK3B
SCHEMBL1369694 0.84 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1

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-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS ZHANG JUNHU 2010-09-02 US claimed
US-8530652-B2 Pyrrolopyrazoles, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 US disclosed
US-8067591-B2 Pyrrolopyrazole, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
EP-1838718-B1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER (US) 2011-06-15 EP disclosed
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS ZHANG JUNHU 2010-09-02 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-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 PAK4 1/4885CDK2 148/4885MAPK1 67/4885
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 PAK4 1/4885CDK2 163/4885MAPK1 67/4885

“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.