SCHEMBL4698941

SCHEMBL4698941

CN1CCC(c2nc(Cl)c3cnn(C)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.42
PDE10A Q9Y233 8/20 0.41
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HTR2C P28335 2/20 0.39
NSD2 O96028 1/20 0.38
PKM P14618 1/20 0.38
KAT2B Q92831 2/20 0.37
PIK3CA P42336 1/20 0.36
CHRM3 P20309 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL30095656 0.93 PDE10A (0.47) PDE2APDE10ACHRM3PDE4APDE4B
SCHEMBL29174941 0.93 PDE10A (0.47) PDE2APDE10ACHRM3PDE4APDE4B
SCHEMBL31391497 0.77 PDE2A (0.46) PDE2APDE10AHRH1HRH4HTR2C
SCHEMBL25746321 0.77 PDE2A (0.46) PDE2APDE10AHRH1HRH4HTR2C
SCHEMBL29174759 0.77 PDE10A (0.43) PDE2APDE10A
SCHEMBL30095840 0.76 PDE2A (0.46) PDE2AHRH1HRH4HTR2CNSD2
SCHEMBL29174903 0.76 PDE2A (0.46) PDE2AHRH1HRH4HTR2CNSD2
SCHEMBL25875863 0.74 PDE2A (0.41) PDE2APDE10APDE4APDE4BPDE4C
SCHEMBL30095904 0.74 PDE10A (0.43) PDE10A
SCHEMBL29174904 0.74 PDE10A (0.43) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 US disclosed
EP-1963327-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007062805-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-07 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-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors EPHB3, EPHB2, EPHB1 PDE2A 1502/4885PDE10A 1725/4885HRH1 1134/4885

“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.