SCHEMBL4434929

SCHEMBL4434929

CN(C)C1CCN(c2ccncc2N)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.52
▸ ATR Q13535 3/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP46A1 Q9Y6A2 8/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PTPN11 Q06124 1/20 0.39
▸ PRKCZ Q05513 1/20 0.38
▸ TIPARP Q7Z3E1 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ CDC42BPA Q5VT25 1/20 0.37
▸ CDC42BPB Q9Y5S2 1/20 0.37

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
SCHEMBL15771417 0.84 MAPT (0.46) MAPTATRMEN1GAAKMT2A
SCHEMBL15783997 0.83 ROCK2 (0.54) MAPTATRMAP4K4ROCK2ROCK1
SCHEMBL24456645 0.82 CYP46A1 (0.44) ATRCYP46A1PRKCZROCK2ROCK1
SCHEMBL29653036 0.82 CYP46A1 (0.44) ATRCYP46A1PRKCZROCK2ROCK1
SCHEMBL15783998 0.81 MAPT (0.49) MAPTATRMEN1USP2GAA
SCHEMBL30309984 0.81 MAPT (0.49) MAPTATRMEN1USP2GAA
SCHEMBL11906822 0.81 MAPT (0.54) MAPTATRMEN1USP2GAA
SCHEMBL20189967 0.81 MAPT (0.54) MAPTMEN1USP2GAAKMT2A
SCHEMBL28203881 0.80 CYP46A1 (0.44) MAPTATRCYP46A1PRKCZ
SCHEMBL15783900 0.80 MAPT (0.52) MAPTMEN1USP2GAAKMT2A

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 80 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-20140163000-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-06-12 — — US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 — — EP 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
CN-101679266-A PIM kinase inhibitors and methods of their use NOVARTIS AG 2010-03-24 — — CN 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
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 (5 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-20140163000-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 MAPT 2470/4885ATR 1/4885MEN1 2002/4885
US-20250223292-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 MAPT 2470/4885ATR 1/4885MEN1 2002/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPT 4106/4885ATR 423/4885MEN1 3897/4885
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, TBK1 MAPT 2585/4885ATR 1/4885MEN1 1965/4885
US-12187731-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, CHEK1 MAPT 2470/4885ATR 1/4885MEN1 2002/4885

“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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