SCHEMBL14320613

SCHEMBL14320613

O=C1CCCc2ccc(Nc3nc(-c4cccc(C(=O)O)c4)nc4cn[nH]c34)cc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
INSR P06213 1/20 0.40
MET P08581 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
ROCK2 O75116 4/20 0.39
ROCK1 Q13464 3/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
RORC P51449 1/20 0.37
MAPK14 Q16539 1/20 0.37
CLK2 P49760 1/20 0.37
BLK P51451 1/20 0.37
CSNK2A1 P68400 1/20 0.37
STK3 Q13188 1/20 0.37
DYRK1A Q13627 1/20 0.37
AURKB Q96GD4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
STK17A Q9UEE5 1/20 0.37

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
SCHEMBL14320319 0.95 MEN1 (0.43) BTKMEN1KMT2AL3MBTL1TRPV1
SCHEMBL14320504 0.92 PDE5A (0.44) BTKINSRMETTRPV1ROCK2
SCHEMBL14320820 0.87 CRBN (0.48) ROCK2ABCG2SYKJAK2KIF11
SCHEMBL17135675 0.85 ABCG2 (0.41) MEN1KMT2ATRPV1ABCG2SYK
SCHEMBL15650996 0.85 JAK1 (0.41) BTKKMT2AINSRMETTRPV1
SCHEMBL15651130 0.85 CYP1A2 (0.47) MEN1KMT2AINSRMETCLK4
SCHEMBL17135643 0.84 HTT (0.47) MEN1KMT2AL3MBTL1ROCK2ROCK1
SCHEMBL14320598 0.84 SYK (0.47) MEN1KMT2AL3MBTL1TRPV1ROCK2
SCHEMBL17135647 0.84 MET (0.43) BTKMEN1KMT2AINSRMET
SCHEMBL17095053 0.84 SYK (0.46) BTKINSRMETROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US claimed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP claimed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US claimed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 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 (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-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK BTK 9/4885MEN1 544/4885KMT2A 921/4885

“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.