SCHEMBL8046909

SCHEMBL8046909

CCOC(=O)c1cccc(-n2ncc(C#N)c2N)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
HTT P42858 2/20 0.56
ALDH1A1 P00352 5/20 0.53
HPGD P15428 1/20 0.53
XDH P47989 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
NPBWR1 P48145 1/20 0.50
MCHR1 Q99705 1/20 0.50
KDM4E B2RXH2 4/20 0.49
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
ATM Q13315 1/20 0.45

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
SCHEMBL3879537 0.87 KMT2A (0.62) KMT2AHTTALDH1A1HPGDXDH
SCHEMBL1613646 0.82 XDH (0.71) KMT2AXDHSMN1; SMN2KDM4ERAB9A
SCHEMBL8043565 0.82 HTT (0.68) KMT2AHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL6205834 0.79 KMT2A (0.66) KMT2AHTTALDH1A1XDHTSHR
SCHEMBL304020 0.78 HTT (0.54) HTTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL31117196 0.78 HTT (0.72) KMT2AHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL4161763 0.78 HTT (0.72) KMT2AHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL7823430 0.77 ALDH1A1 (0.76) KMT2AHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL31174528 0.77 ALDH1A1 (0.76) KMT2AHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL6205563 0.77 KMT2A (1.00) KMT2AHTTALDH1A1XDHSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
WO-2009068617-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TEATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS PDE9A, PDE7A, PDE1C KMT2A 1720/4885HTT 2307/4885ALDH1A1 127/4885

“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.