SCHEMBL1369729

SCHEMBL1369729

Cc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2ccsc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 20/20 1.00
OPRM1 P35372 1/20 0.78

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
SCHEMBL1369727 1.00 PAK4 (1.00) PAK4OPRM1
SCHEMBL1942289 1.00 PAK4 (1.00) PAK4OPRM1
SCHEMBL1941820 0.89 PAK4 (1.00) PAK4OPRM1
SCHEMBL1941690 0.89 PAK4 (1.00) PAK4OPRM1
SCHEMBL12559885 0.88 PAK4 (1.00) PAK4OPRM1
SCHEMBL1370324 0.88 PAK4 (1.00) PAK4OPRM1
SCHEMBL12143903 0.88 PAK4 (1.00) PAK4OPRM1
SCHEMBL1370323 0.88 PAK4 (1.00) PAK4OPRM1
SCHEMBL1941293 0.88 PAK4 (1.00) PAK4OPRM1
SCHEMBL13454839 0.88 PAK4 (1.00) PAK4OPRM1

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 15 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-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-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
US-8067591-B2 Pyrrolopyrazole, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2011-11-29 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
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
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS ZHANG JUNHU 2010-09-02 US disclosed
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS ZHANG JUNHU 2010-09-02 US disclosed
EP-1838718-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS Pfizer, Inc. (US) 2007-10-03 EP disclosed
WO-2006072831-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. (US) 2006-07-13 WO 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 1/4885OPRM1 4322/4885
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 PAK4 1/4885OPRM1 4150/4885

“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.