SCHEMBL1369035

SCHEMBL1369035

CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(Cl)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 19/20 1.00
CDK7 P50613 2/20 0.85
CCNH P51946 2/20 0.85
MNAT1 P51948 2/20 0.85
PLK4 O00444 1/20 0.85
CHEK1 O14757 1/20 0.85
AURKA O14965 1/20 0.85
GAK O14976 1/20 0.85
RPS6KA5 O75582 1/20 0.85
RPS6KA4 O75676 1/20 0.85
STK16 O75716 1/20 0.85
PAK3 O75914 1/20 0.85
CDKL5 O76039 1/20 0.85
PRKD3 O94806 1/20 0.85
LATS1 O95835 1/20 0.85
CHEK2 O96017 1/20 0.85
NTRK1 P04629 1/20 0.85
TP53 P04637 1/20 0.85
PRKCG P05129 1/20 0.85
PRKCB P05771 1/20 0.85

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
Pf-03758309 SCHEMBL16101450 0.92 PAK4 (1.00) PAK4CDK7CCNHMNAT1PLK4
Pf-03758309 SCHEMBL1369342 0.92 PAK4 (1.00) PAK4CDK7CCNHMNAT1PLK4
Pf-03758309 SCHEMBL29929908 0.91 PAK4 (0.99) PAK4CDK7CCNHMNAT1PLK4
SCHEMBL13470420 0.90 PAK4 (0.81) PAK4CDK7CCNHMNAT1PLK4
SCHEMBL1369668 0.88 PAK4 (1.00) PAK4CDK7CCNHMNAT1PLK4
SCHEMBL1942571 0.82 PAK4 (0.80) PAK4CDK7CCNHMNAT1PLK4
SCHEMBL24513386 0.81 PAK4 (0.81) PAK4CDK7CCNHMNAT1PLK4
SCHEMBL1369124 0.81 PAK4 (1.00) PAK4CDK7CCNHMNAT1PLK4
SCHEMBL23609482 0.80 PAK4 (0.80) PAK4CDK7CCNHMNAT1PLK4
SCHEMBL1367038 0.79 PAK4 (1.00) PAK4

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 10 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-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
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

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 1/4885CDK7 224/4885CCNH 1937/4885
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 PAK4 1/4885CDK7 228/4885CCNH 1899/4885

“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.