SCHEMBL2771502

SCHEMBL2771502

O=c1[nH]c(Cc2cccc(Cl)c2)nc2c1cnn2-c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAPK3 O43293 3/20 0.53
▸ PIM1 P11309 3/20 0.53
▸ PIM3 Q86V86 3/20 0.53
▸ PIM2 Q9P1W9 2/20 0.53
▸ DAPK1 P53355 1/20 0.48
▸ DAPK2 Q9UIK4 1/20 0.48
▸ PDE5A O76074 4/20 0.47
▸ GRM1 Q13255 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PDE9A O76083 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 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
SCHEMBL2769722 0.86 LMNA (0.56) DAPK3PIM1PIM3PIM2DAPK1
SCHEMBL2768169 0.84 CDK4 (0.55) DAPK3PIM1PIM3PIM2PDE5A
SCHEMBL2769656 0.84 PDE9A (0.50) DAPK3PIM1PIM3PIM2PDE5A
SCHEMBL2769751 0.83 CDK4 (0.51) DAPK3PIM1PIM3PIM2DAPK1
SCHEMBL2770187 0.82 PDE9A (0.64) DAPK3PIM1PIM3PIM2PDE5A
SCHEMBL2773649 0.82 PDE9A (0.59) DAPK3PIM1PIM3PIM2PDE5A
SCHEMBL2771678 0.81 PDE9A (0.60) DAPK3PIM1PIM3PIM2PDE5A
SCHEMBL13504654 0.80 PDE9A (0.48) DAPK3PIM1PIM3PIM2PDE5A
SCHEMBL2769898 0.80 PDE9A (0.62) DAPK3PIM1PIM3PIM2PDE5A
SCHEMBL2771903 0.80 PDE9A (0.50) PDE5APDE9A

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 17 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
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 DAPK3 1416/4885PIM1 589/4885PIM3 918/4885
US-20070161662-A1 6-Arylmethyl-substituted pyrazolopyrimidines P2RX6, P2RY6, GRM6 DAPK3 1416/4885PIM1 589/4885PIM3 918/4885

“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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