SCHEMBL2996265

SCHEMBL2996265

Cc1c(N)cccc1-c1cc(N)c2nccn2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
AURKA O14965 1/20 0.38
SYK P43405 3/20 0.37
CD63 P08962 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CA P42336 1/20 0.36
BTK Q06187 1/20 0.35
DYRK1A Q13627 1/20 0.35
TNKS O95271 1/20 0.35
NUDT1 P36639 1/20 0.35
ADORA2A P29274 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL2996263 0.83 HDAC6 (0.41) TGFBR1SYKHDAC6BTK
SCHEMBL4080605 0.81 BTK (0.43) AURKASYKHDAC6BTKSMN1; SMN2
SCHEMBL13212628 0.78 CCNE2 (0.41) DYRK1AADORA2A
SCHEMBL4080195 0.78 BTK (0.45) HDAC6BTK
SCHEMBL13765539 0.77 BTK (0.47) BTK
SCHEMBL14006694 0.75 ADORA2A (0.43) AURKASYKCD63TSHRDYRK1A
SCHEMBL14006700 0.75 ALOX5AP (0.43) CYP3A4ADORA2A
SCHEMBL2990633 0.75 BTK (0.64) SYKBTK
SCHEMBL14878009 0.74 AURKA (0.41) TGFBR1AURKASYKCD63BTK
SCHEMBL14006703 0.72 HDAC6 (0.50) AURKASYKHDAC6SMN1; SMN2

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-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
EP-2229390-A1 NOVEL IMIDAZOÝ1,2-A¨PYRIDINE AND IMIDAZOÝ1,2-B¨PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US disclosed
WO-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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 (1 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN TGFBR1 1782/4885L3MBTL1 3419/4885AURKA 616/4885

“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.