SCHEMBL2768288

SCHEMBL2768288

O=c1[nH]c(Cc2cccc(Cl)c2)nc2c1cnn2-c1ncccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.46
▸ PDE9A O76083 8/20 0.45
▸ CDK4 P11802 5/20 0.44
▸ CCND1 P24385 5/20 0.44
▸ CCNE2 O96020 5/20 0.44
▸ CCNE1 P24864 5/20 0.44
▸ CDK2 P24941 5/20 0.44
▸ CCNB2 O95067 4/20 0.44
▸ CDK1 P06493 4/20 0.44
▸ CCNB1 P14635 4/20 0.44
▸ CCNB3 Q8WWL7 4/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ DAPK3 O43293 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43

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
SCHEMBL2768169 0.88 CDK4 (0.55) PDE5APDE9ACDK4CCND1CCNE2
SCHEMBL2770407 0.85 ALDH1A1 (0.48) PDE5APDE9ACDK4CCND1CCNE2
SCHEMBL2773649 0.85 PDE9A (0.59) PDE5APDE9ACDK4CCND1CCNE2
SCHEMBL2770187 0.83 PDE9A (0.64) PDE5APDE9ACDK4CCND1CCNE2
SCHEMBL2769751 0.83 CDK4 (0.51) PDE5APDE9ACDK4CCND1CCNE2
SCHEMBL2769722 0.81 LMNA (0.56) PDE5APDE9ACCNE2CCNE1CDK2
SCHEMBL2771678 0.80 PDE9A (0.60) PDE5APDE9ACDK4CCND1CCNE2
SCHEMBL2769898 0.79 PDE9A (0.62) PDE5APDE9ACDK4CCND1CCNE2
SCHEMBL2769656 0.79 PDE9A (0.50) PDE5APDE9ACDK4CCND1CCNE2
SCHEMBL2771903 0.79 PDE9A (0.50) PDE5APDE9ACDK4CCND1CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809348-B2 6-arylmethyl substituted pyrazolo[3,4-d]pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-19 — — US disclosed
US-8809348-B2 6-arylmethyl substituted pyrazolo[3,4-d]pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-19 — — US disclosed
US-8809348-B2 6-arylmethyl substituted pyrazolo[3,4-d]pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-19 — — US disclosed
EP-1628980-B1 6-ARYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2010-04-28 — — EP disclosed
US-20100035900-A1 6-Arylmethyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-11 — — US disclosed
US-20100035900-A1 6-Arylmethyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-11 — — US disclosed
US-20100035900-A1 6-Arylmethyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-11 — — US disclosed
US-7615558-B2 6-arylmethylprazolo[3,4-d]pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 — — US disclosed
US-7615558-B2 6-arylmethylprazolo[3,4-d]pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 — — US disclosed
US-7615558-B2 6-arylmethylprazolo[3,4-d]pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 — — US disclosed
US-20070161662-A1 6-Arylmethyl-substituted pyrazolopyrimidines BAYER HEALTHCARE AG (DE) 2007-07-12 — — US disclosed
US-20070161662-A1 6-Arylmethyl-substituted pyrazolopyrimidines BAYER HEALTHCARE AG (DE) 2007-07-12 — — US disclosed
US-20070161662-A1 6-Arylmethyl-substituted pyrazolopyrimidines BAYER HEALTHCARE AG (DE) 2007-07-12 — — US disclosed
EP-1628980-A1 6-ARYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES Bayer HealthCare AG (DE) 2006-03-01 — — EP disclosed
WO-2004099210-A1 6-ARYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BAYER HEALTHCARE AG (DE) 2004-11-18 — — WO disclosed
WO-2004099210-A1 6-ARYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BAYER HEALTHCARE AG (DE) 2004-11-18 — — 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 (2 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-20100035900-A1 6-Arylmethyl-substituted pyrazolopyrimidines P2RX6, P2RY6, GRM6 PDE5A 257/4885PDE9A 322/4885CDK4 321/4885
US-20070161662-A1 6-Arylmethyl-substituted pyrazolopyrimidines P2RX6, P2RY6, GRM6 PDE5A 257/4885PDE9A 322/4885CDK4 321/4885

“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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