SCHEMBL3462566

SCHEMBL3462566

COC(=O)c1nc(-c2ccccc2)cnc1N

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.66
PRKDC P78527 10/20 0.66
ATM Q13315 3/20 0.56
CYP3A4 P08684 1/20 0.55
ATRIP Q8WXE1 1/20 0.55

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
SCHEMBL336653 0.90 ATR (0.53) ATRPRKDCATMCYP3A4ATRIP
SCHEMBL2484432 0.87 ATR (0.67) ATRCYP3A4
SCHEMBL23703155 0.87 ATR (0.64) ATRPRKDCATMATRIP
SCHEMBL23419962 0.86 ATR (0.69) ATRPRKDC
SCHEMBL23389767 0.86 ATR (0.57) ATRPRKDCATM
SCHEMBL23732912 0.85 ATR (0.63) ATRPRKDCATMATRIP
SCHEMBL4928363 0.85 ATR (0.63) ATRPRKDCATMATRIP
SCHEMBL3461817 0.85 IKBKB (0.49) ATRPRKDCATM
SCHEMBL23389810 0.85 ATR (0.67) ATRPRKDCATM
SCHEMBL14525246 0.84 ATR (0.65) ATRPRKDCATMCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195490-B2 STRAD-binding agents and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-14 US disclosed
CN-115916966-A STRAD binding agents and uses thereof 加利福尼亚大学董事会 2023-04-04 CN disclosed
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2023-02-02 US disclosed
EP-4097223-A1 STRAD-BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-07 EP disclosed
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 EP disclosed
EP-3354650-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2022-02-16 EP disclosed
US-11179394-B2 Method for treating cancer using a combination of Chk1 and ATR inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-11-23 US disclosed
WO-2021155004-A1 STRAD-BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-05 WO disclosed
WO-2021155004-A1 STRAD-BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-05 WO disclosed
US-10961232-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-03-30 US disclosed
US-20040072847-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4'-piperidines NEUROGEN CORPORATION 2004-04-15 US disclosed
EP-1368345-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-10 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 WO disclosed
EP-1347982-A2 SPIRO ISOBENZOFURAN-1,4'-PIPERIDIN]-3-ONES AND 3H-SPIROISOBENZOFURAN-1,4'-PIPERIDINES Neurogen Corporation (US) 2003-10-01 EP disclosed
US-6569860-B2 Alkoxycarbonylamino-heteroaryl carboxylic acid derivatives useful for treating the disorders of the urinary tract, pain, inflammation, respiratory states, edema formation, hypotensive vascular diseases, pain and allergies ROćHE PALO ALTO LLC 2003-05-27 US disclosed
US-6566367-B2 For therapy of eating disorders such as obesity or bulimia, psychiatric disorders, diabetes and cardiovascular disorders such as hypertension in humans, domesticated companion animals and livestock animals PFIZER INC. 2003-05-20 US disclosed
US-20030036652-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4'-piperidines NEUROGEN CORPORATION 2003-02-20 US disclosed
US-20020169171-A1 Alkoxycarbonylamino heteroaryl carboxylic acid derivatives as IP antagonists SYNTEX (USA) LLC 2002-11-14 US disclosed
WO-2002070514-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 WO disclosed
WO-2002048152-A2 SPIRO[ISOBENZOFURAN-1,4'-PIPERIDIN]-3-ONES AND 3H-SPIROISOBENZOFURAN-1,4'-PIPERIDINES NEUROGEN CORPORATION (US) 2002-06-20 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 (7 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-20040072847-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4'-piperidines NPY5R, NPY4R, NPY1R ATR 4634/4885PRKDC 4671/4885ATM 4428/4885
US-10961232-B2 Substituted pyrazines as ATR kinase inhibitors ATR, MAP3K5, CHEK1 ATR 1/4885PRKDC 29/4885ATM 41/4885
US-11179394-B2 Method for treating cancer using a combination of Chk1 and ATR inhibitors CHEK1, CHEK2, ATR ATR 3/4885PRKDC 73/4885ATM 7/4885
US-20020169171-A1 Alkoxycarbonylamino heteroaryl carboxylic acid derivatives as IP antagonists GPBAR1, GCGR, CNR1 ATR 4042/4885PRKDC 4574/4885ATM 4691/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 23/4885ATM 39/4885
US-20030036652-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4'-piperidines NPY5R, NPY4R, NPY1R ATR 4634/4885PRKDC 4671/4885ATM 4428/4885
US-12195490-B2 STRAD-binding agents and uses thereof STRAP, STRA6, PLAUR ATR 3836/4885PRKDC 467/4885ATM 2098/4885

“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.