SCHEMBL645061

SCHEMBL645061

Nc1cc(-c2ccco2)n[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.64
PDPK1 O15530 1/20 0.54
MAPT P10636 8/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
BLM P54132 1/20 0.51
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 3/20 0.45
ALOX15 P16050 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SMARCA2 P51531 1/20 0.45
PBRM1 Q86U86 1/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL7914418 0.78 PDE10A (1.00) PDE10APDPK1MAPTALDH1A1KDM4E
SCHEMBL14138518 0.75 PDE10A (0.60) PDE10APDPK1MAPTALDH1A1KDM4E
SCHEMBL2638591 0.75 PDE10A (0.55) PDE10APDPK1MAPTALDH1A1KDM4E
SCHEMBL3266478 0.74 POLB (0.62) PDE10APDPK1MAPTALDH1A1KDM4E
SCHEMBL14373063 0.74 PDE10A (0.63) PDE10APDPK1MAPTALDH1A1KDM4E
SCHEMBL7326162 0.74 PDE10A (0.58) PDE10APDPK1MAPTALDH1A1KDM4E
SCHEMBL8480336 0.73 PDE10A (0.66) PDE10APDPK1MAPTALDH1A1KDM4E
SCHEMBL644424 0.73 TP53 (0.58) PDE10AMAPTALDH1A1KDM4EHSD17B10
SCHEMBL27926759 0.73 MAPT (0.67) PDE10APDPK1MAPTALDH1A1KDM4E
SCHEMBL1554000 0.71 MAPT (0.58) MAPTALDH1A1KDM4EBLMHSD17B10

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011528372-A 2011-11-17 JP claimed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US claimed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO claimed
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US claimed
US-7238721-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-03 US claimed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US claimed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
CN-122010947-A Antagonists of adenosine A2a receptors 阿道尔克斯治疗有限公司 2026-05-12 CN disclosed
US-12617796-B2 Antagonists of the adenosine A2a receptor JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US disclosed
US-11993729-B2 Chemical mechanical polishing composition BASF SE (DE) 2024-05-28 US disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US disclosed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 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 (6 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-12617796-B2 Antagonists of the adenosine A2a receptor ADORA2A, ADORA2B, ADORA3 PDE10A 559/4885PDPK1 1028/4885MAPT 4500/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 PDE10A 735/4885PDPK1 1793/4885MAPT 501/4885
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders APP, PARK7, BACE1 PDE10A 1192/4885PDPK1 632/4885MAPT 22/4885
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR ADORA2A, ADORA1, ADORA3 PDE10A 555/4885PDPK1 1498/4885MAPT 4722/4885
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome APP, BACE1, PSEN1 PDE10A 149/4885PDPK1 2667/4885MAPT 36/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 PDE10A 3162/4885PDPK1 1701/4885MAPT 4590/4885

“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.