Sugi Predict

Sugi Predict / Compounds / SCHEMBL3503797

SCHEMBL3503797

SCHEMBL3503797

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 20/20 1.00
▸ CDK2 P24941 3/20 0.64
▸ MAPK1 P28482 2/20 0.63
▸ GSK3B P49841 2/20 0.63
▸ MARK1 Q9P0L2 1/20 0.63
▸ PLK4 O00444 1/20 0.60
▸ CHEK1 O14757 1/20 0.60
▸ AURKA O14965 1/20 0.60
▸ GAK O14976 1/20 0.60
▸ RPS6KA5 O75582 1/20 0.60
▸ RPS6KA4 O75676 1/20 0.60
▸ STK16 O75716 1/20 0.60
▸ PAK3 O75914 1/20 0.60
▸ CDKL5 O76039 1/20 0.60
▸ PRKD3 O94806 1/20 0.60
▸ LATS1 O95835 1/20 0.60
▸ CHEK2 O96017 1/20 0.60
▸ NTRK1 P04629 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ PRKCG P05129 1/20 0.60

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
SCHEMBL1941057 1.00 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1
SCHEMBL1369694 0.89 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1
SCHEMBL1369692 0.89 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1
SCHEMBL1942859 0.89 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1
SCHEMBL1942862 0.89 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1
SCHEMBL1942571 0.87 PAK4 (0.80) PAK4CDK2MAPK1GSK3BPLK4
SCHEMBL1941053 0.83 PAK4 (0.71) PAK4CDK2MAPK1GSK3BPLK4
SCHEMBL1369758 0.82 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1
SCHEMBL1369750 0.82 PAK4 (1.00) PAK4CDK2MAPK1GSK3BMARK1
SCHEMBL28645932 0.81 PAK4 (0.71) PAK4MAPK1GSK3BPLK4CHEK1

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 7 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
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

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.