SCHEMBL16424979

SCHEMBL16424979

Nc1ncc(-c2cccc(C(=O)NC3CCC(O)CC3)c2)nc1C(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 1.00
TYRO3 Q06418 1/20 0.67
PRKDC P78527 2/20 0.65

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
SCHEMBL2482627 1.00 ATR (1.00) ATRTYRO3PRKDC
SCHEMBL13138647 1.00 ATR (1.00) ATRTYRO3PRKDC
SCHEMBL17826560 0.91 ATR (0.92) ATRPRKDC
SCHEMBL2486742 0.91 ATR (1.00) ATRPRKDC
SCHEMBL3054929 0.89 ATR (1.00) ATR
SCHEMBL2510765 0.87 ATR (1.00) ATRPRKDC
SCHEMBL3461011 0.86 ATR (0.74) ATRTYRO3
SCHEMBL2484673 0.86 ATR (1.00) ATRPRKDC
SCHEMBL3460413 0.84 ATR (0.72) ATRTYRO3
SCHEMBL20283909 0.83 ATR (0.71) ATRPRKDC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 EP disclosed
US-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-29 US 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 (1 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-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885TYRO3 946/4885PRKDC 23/4885

“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.