SCHEMBL4550734

SCHEMBL4550734

CC(C)n1nc(-c2ccc(N)nc2)c2c1-c1sc(NC(=O)CCCN(C)C)nc1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.39
PI4KB Q9UBF8 9/20 0.39
PIK3C2A O00443 2/20 0.39
PIK3C2B O00750 2/20 0.39
STK17A Q9UEE5 2/20 0.39
PIK3CD O00329 2/20 0.39
DYRK3 O43781 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK9 P50750 1/20 0.39
MAP4K2 Q12851 1/20 0.39
CYP3A4 P08684 5/20 0.38
CYP2D6 P10635 2/20 0.36
RPS6KA4 O75676 1/20 0.36
ACHE P22303 1/20 0.33
GRIN2B Q13224 1/20 0.33
P2RX7 Q99572 1/20 0.33
AURKA O14965 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
PLK1 P53350 1/20 0.33

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
SCHEMBL692457 0.95 PIK3CA (0.40) PIK3CAPI4KBPIK3C2APIK3C2BSTK17A
SCHEMBL4550836 0.92 ACHE (0.35) PIK3CAPI4KBPIK3C2APIK3C2BSTK17A
SCHEMBL4550891 0.89 KCNH2 (0.33) PIK3CAPI4KBPIK3CDACHEGRIN2B
SCHEMBL691858 0.83 PI4KB (0.39) PIK3CAPI4KBPIK3C2APIK3C2BSTK17A
SCHEMBL4547347 0.82 CYP3A4 (0.35) PIK3CAPI4KBPIK3C2APIK3C2BSTK17A
SCHEMBL12649331 0.82 PI4KB (0.40) PIK3CAPI4KBPIK3C2APIK3C2BSTK17A
SCHEMBL4547280 0.82 PIK3CG (0.39) PIK3CAPI4KBPIK3CDAURKACCNA2
SCHEMBL12651847 0.81 AURKA (0.32) PIK3CAPI4KBPIK3C2APIK3C2BSTK17A
SCHEMBL4550902 0.81 ALDH1A1 (0.34) PIK3CAPI4KBPIK3C2APIK3C2BSTK17A
SCHEMBL4547328 0.81 ALDH1A1 (0.36) PI4KBPIK3C2APIK3C2BSTK17APIK3CD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R PIK3CA 2993/4885PI4KB 2248/4885PIK3C2A 3890/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R PIK3CA 2993/4885PI4KB 2248/4885PIK3C2A 3890/4885

“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.