SCHEMBL2769722

SCHEMBL2769722

Cc1ccc(-n2ncc3c(=O)[nH]c(Cc4cccc(Cl)c4)nc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ ESR1 P03372 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ TYK2 P29597 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPT P10636 3/20 0.50
▸ DAPK3 O43293 2/20 0.50
▸ PIM1 P11309 2/20 0.50
▸ PIM3 Q86V86 2/20 0.50
▸ PIM2 Q9P1W9 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ PDE5A O76074 2/20 0.48
▸ CCNE2 O96020 1/20 0.48

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
SCHEMBL2769751 0.87 CDK4 (0.51) DAPK3PIM1PIM3PIM2PDE5A
SCHEMBL2768169 0.86 CDK4 (0.55) DAPK3PIM1PIM3PIM2PDE5A
SCHEMBL2771502 0.86 DAPK3 (0.53) LMNAL3MBTL1MAPTDAPK3PIM1
SCHEMBL2771678 0.84 PDE9A (0.60) DAPK3PIM1PIM3PIM2PDE5A
SCHEMBL2769898 0.84 PDE9A (0.62) DAPK3PIM1PIM3PIM2PDE5A
SCHEMBL2771903 0.84 PDE9A (0.50) PDE5ACCNE2CCNE1CDK2PDE9A
SCHEMBL2770187 0.83 PDE9A (0.64) DAPK3PIM1PIM3PIM2PDE5A
SCHEMBL2773649 0.83 PDE9A (0.59) DAPK3PIM1PIM3PIM2PDE5A
SCHEMBL2769656 0.82 PDE9A (0.50) DAPK3PIM1PIM3PIM2PDE5A
SCHEMBL2770407 0.82 ALDH1A1 (0.48) LMNAL3MBTL1MAPTDAPK3PIM1

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
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
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
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 LMNA 4473/4885ESR1 2109/4885L3MBTL1 4246/4885
US-20070161662-A1 6-Arylmethyl-substituted pyrazolopyrimidines P2RX6, P2RY6, GRM6 LMNA 4473/4885ESR1 2109/4885L3MBTL1 4246/4885

“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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