SCHEMBL3513647

SCHEMBL3513647

Cc1n[c]sc1-c1nc(NC2CC2)sc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.39
CDK2 P24941 4/20 0.39
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
BRAF P15056 8/20 0.34
PDE4A P27815 7/20 0.34
PDE4B Q07343 7/20 0.34
PDE4C Q08493 7/20 0.34
PDE4D Q08499 7/20 0.34
PI4KB Q9UBF8 2/20 0.34
ACHE P22303 2/20 0.33
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL3510853 0.77 BTK (0.47) ALDH1A1MAPT
SCHEMBL3512226 0.77 PIK3CD (0.36)
SCHEMBL3513193 0.75 BTK (0.32)
SCHEMBL3513465 0.75 CNR1 (0.37) PI4KB
SCHEMBL3513694 0.74 PIK3CD (0.33) ALDH1A1MAPT
SCHEMBL3514552 0.73 PIK3CA (0.32)
SCHEMBL3512953 0.71 PIK3CD (0.31)
SCHEMBL8553614 0.70 ALDH1A1 (0.47) CCNA2CDK2PI4KBALDH1A1MAPT
SCHEMBL2703536 0.70 PIK3CA (0.35) PI4KB
Hydrochloric Acid SCHEMBL8551755 0.69 ALDH1A1 (0.46) CCNA2CDK2ADORA2AADORA1PI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 US disclosed
EP-2240475-B1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2013-09-25 EP disclosed
US-20100298286-A1 Organic Compounds NOVARTIS AG 2010-11-25 US disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 EP disclosed
EP-2238134-A2 BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2010-10-13 EP disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
WO-2009080705-A2 BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2009-07-02 WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 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-20100298286-A1 Organic Compounds PIK3CA, PI4KB, PIK3CB CCNA2 1774/4885CDK2 82/4885ADORA2A 2722/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD CCNA2 1822/4885CDK2 124/4885ADORA2A 3843/4885

“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.