SCHEMBL966361

SCHEMBL966361

O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 7/20 0.51
▸ POLB P06746 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ CREBBP Q92793 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ PDE9A O76083 1/20 0.47
▸ PDE1A P54750 1/20 0.47
▸ PDE1B Q01064 1/20 0.47
▸ PDE1C Q14123 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL967532 0.91 PDE5A (0.48) PDE5APOLBMAPTTDP1CREBBP
SCHEMBL12920938 0.91 PDE5A (0.48) PDE5APOLBMAPTTDP1KMT2A
SCHEMBL967051 0.87 PDE5A (0.48) PDE5APOLBMAPTKDM4ECREBBP
SCHEMBL968442 0.87 PDE9A (0.45) PDE5APOLBMAPTTDP1PDE9A
SCHEMBL8042405 0.86 PDE5A (0.47) PDE5APOLBMAPTKDM4ECREBBP
SCHEMBL966971 0.85 PDE9A (0.52) PDE5AMAPTKDM4ECREBBPKMT2A
SCHEMBL969016 0.85 PDE9A (0.47) PDE5APOLBKMT2AMEN1PDE9A
SCHEMBL970547 0.85 PDE9A (0.52) PDE5AMAPTKDM4ECREBBPPDE9A
SCHEMBL969552 0.85 PDE9A (0.47) PDE5AHTTPDE9APDE1APDE1B
SCHEMBL969122 0.85 PDE9A (0.44) PDE5APOLBMAPTTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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

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 PDE5A 11/4885POLB 4069/4885MAPT 3117/4885

“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.

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