SCHEMBL4555529

SCHEMBL4555529

Nc1cnccc1N1CCC2(CC1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.50
MAPT P10636 2/20 0.49
PIK3CA P42336 3/20 0.38
MTOR P42345 3/20 0.38
PTPN11 Q06124 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
F12 P00748 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
LMNA P02545 2/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4566112 0.92 LGMN (0.44) LGMNMAPTPIK3CAMTORPTPN11
SCHEMBL15783989 0.81 CYP11B1 (0.54) LGMNMAPTALDH1A1GSK3AGSK3B
SCHEMBL15783934 0.80 MAPT (0.56) MAPTPTPN11ALDH1A1GSK3AGSK3B
SCHEMBL16702875 0.80 MAPT (0.52) MAPTGSK3AGSK3B
SCHEMBL14881721 0.79 MAPT (0.55) LGMNMAPTPIK3CAALDH1A1SMN1; SMN2
SCHEMBL30309939 0.79 MAPT (0.55) LGMNMAPTPIK3CAALDH1A1SMN1; SMN2
SCHEMBL15784034 0.79 CYP11B1 (0.51) MAPTPIK3CAMTORGSK3AGSK3B
SCHEMBL15783994 0.78 MAPT (0.55) MAPTPIK3CAMTORPTPN11ALDH1A1
SCHEMBL15786789 0.78 MAPT (0.55) MAPTPTPN11
SCHEMBL23536222 0.78 LGMN (0.58) LGMNMAPTPTPN11ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250223292-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2025-07-10 US disclosed
EP-4534538-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2025-04-09 EP disclosed
EP-4190786-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2025-02-26 EP disclosed
US-12187731-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-01-07 US disclosed
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2023-08-31 US disclosed
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2023-08-31 US disclosed
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2023-08-31 US disclosed
EP-4190786-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2023-06-07 EP disclosed
EP-4190786-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2023-06-07 EP disclosed
EP-3808749-B1 PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER DISEASES VERTEX PHARMA (US) 2023-03-08 EP disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
WO-2014089379-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-12 WO disclosed
WO-2014089379-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-12 WO disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 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 (4 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-20250223292-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 LGMN 3086/4885MAPT 2470/4885PIK3CA 97/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 LGMN 3402/4885MAPT 4106/4885PIK3CA 153/4885
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, TBK1 LGMN 3143/4885MAPT 2585/4885PIK3CA 102/4885
US-12187731-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, CHEK1 LGMN 3086/4885MAPT 2470/4885PIK3CA 97/4885

“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.