SCHEMBL1014840

SCHEMBL1014840

C(=Cc1n[nH]c2cncnc12)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.47
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNA2 P20248 1/20 0.46
CCND1 P24385 1/20 0.46
CDK2 P24941 1/20 0.46
CCND3 P30281 1/20 0.46
KDR P35968 7/20 0.44
FGFR1 P11362 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL28270065 0.74 GRM4 (0.37)
SCHEMBL1270888 0.71 PIM1 (0.54) CDK2KDM4EALDH1A1HPGDAURKB
SCHEMBL2458765 0.70 CHEK1 (0.67) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL2458766 0.70 CHEK1 (0.67) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL28378989 0.68 PARP1 (0.43) KDM4EALDH1A1HPGD
SCHEMBL9980485 0.68 GRM4 (0.63)
SCHEMBL352379 0.68 GRM4 (0.39)
SCHEMBL5508124 0.67 CHEK1 (0.61) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL5508123 0.67 CHEK1 (0.61) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL30027409 0.66 PTPN1 (0.45) KDM4EMEN1ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108503648-B Styryl pyrazolopyrimidine compound, pharmaceutical composition, preparation method and application 安徽医科大学 2020-04-14 CN claimed
CN-108503648-A Styryl Pyrazolopyrimidines, pharmaceutical composition and preparation method and purposes 安徽医科大学 2018-09-07 CN claimed
CN-108503648-B Styryl pyrazolopyrimidine compound, pharmaceutical composition, preparation method and application 安徽医科大学 2020-04-14 CN disclosed
CN-108503648-B Styryl pyrazolopyrimidine compound, pharmaceutical composition, preparation method and application 安徽医科大学 2020-04-14 CN disclosed
CN-108503648-B Styryl pyrazolopyrimidine compound, pharmaceutical composition, preparation method and application 安徽医科大学 2020-04-14 CN disclosed
CN-109206427-A Aromatic heterocycle vinyl Pyrazolopyrimidines, pharmaceutical preparation and preparation method and application 安徽医科大学 2019-01-15 CN disclosed
CN-108503648-A Styryl Pyrazolopyrimidines, pharmaceutical composition and preparation method and purposes 安徽医科大学 2018-09-07 CN disclosed
CN-108503648-A Styryl Pyrazolopyrimidines, pharmaceutical composition and preparation method and purposes 安徽医科大学 2018-09-07 CN disclosed
CN-108503648-A Styryl Pyrazolopyrimidines, pharmaceutical composition and preparation method and purposes 安徽医科大学 2018-09-07 CN disclosed
EP-2217602-B1 1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2018-08-29 EP disclosed
CN-105541849-B The ketone derivatives of the dihydro-pyrazolo of 6 cycloalkyl 1,5 [3,4 d] pyrimidine 4 and its purposes as PDE9A inhibitor 勃林格殷格翰国际有限公司 2018-03-23 CN 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
EP-2217602-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) 2010-08-18 EP 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 CHEK1 2079/4885CDK1 1733/4885CDK4 1590/4885

“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.