Sugi Predict

Sugi Predict / Compounds / SCHEMBL4547347

SCHEMBL4547347

SCHEMBL4547347

Cc1ccc(-c2nn(C(C)C)c3c2CCc2nc(NC(=O)CN(C)C)sc2-3)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ AURKA O14965 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ TLR9 Q9NR96 2/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ PI4KB Q9UBF8 7/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ PIK3C2A O00443 1/20 0.33
▸ PIK3C2B O00750 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ MAP4K2 Q12851 1/20 0.33
▸ STK17A Q9UEE5 1/20 0.33
▸ MAPT P10636 1/20 0.32

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
SCHEMBL4547327 0.91 PIK3CD (0.36) CYP3A4CYP2D6AURKACCNA2CDK2
SCHEMBL4550836 0.91 ACHE (0.35) CYP3A4CYP2D6AURKACCNA2CDK2
SCHEMBL4547330 0.90 ADORA2A (0.39) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL4547345 0.90 AURKA (0.36) CYP3A4CYP2D6AURKACCNA2CDK2
SCHEMBL12651847 0.90 AURKA (0.32) CYP3A4CYP2D6AURKACCNA2CDK2
SCHEMBL12651775 0.89 AURKA (0.34) CYP3A4CYP2D6AURKACCNA2CDK2
SCHEMBL4547328 0.89 ALDH1A1 (0.36) CYP3A4CYP2D6AURKACCNA2CDK2
SCHEMBL10182526 0.89 AURKA (0.35) CYP3A4AURKACCNA2CDK2PLK1
SCHEMBL4547329 0.89 ALDH1A1 (0.39) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL4547235 0.88 PIK3CG (0.39) AURKACCNA2CDK2PLK1CCNA1

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-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 — — US disclosed
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-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
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 CYP3A4 405/4885CYP2D6 263/4885AURKA 1441/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R CYP3A4 405/4885CYP2D6 263/4885AURKA 1441/4885

“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.