SCHEMBL2487288

SCHEMBL2487288

C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CCOCC2)nc(Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.59
ATRIP Q8WXE1 3/20 0.59
PIK3CA P42336 3/20 0.55
MTOR P42345 3/20 0.55
KCNH2 Q12809 3/20 0.55
TAF1 P21675 1/20 0.55
PIK3R1 P27986 1/20 0.55
PRKDC P78527 1/20 0.55
ATM Q13315 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
SCHEMBL2487291 1.00 ATR (0.59) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL2492724 1.00 ATR (0.59) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL2490425 0.96 ATR (0.64) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL2489779 0.96 ATR (0.64) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL2491932 0.96 ATR (0.64) ATRATRIPPIK3CAMTORKCNH2
Hydrochloric Acid SCHEMBL31063727 0.94 ATR (0.63) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL6517657 0.94 ATR (0.59) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL2488410 0.94 ATR (0.59) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL2489945 0.94 ATR (0.59) ATRATRIPPIK3CAMTORKCNH2
SCHEMBL4197840 0.94 ATR (0.59) ATRATRIPPIK3CAMTORKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116134022-B ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2025-03-18 CN disclosed
US-20230339927-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-10-26 US disclosed
US-20230339927-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-10-26 US disclosed
US-20230339927-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-10-26 US disclosed
CN-116134022-A ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2023-05-16 CN disclosed
EP-4175948-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-05-10 EP disclosed
WO-2022002245-A1 ATR INHIBITORS AND USES THEREOF SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2022-01-06 WO disclosed
EP-2379530-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2011-10-26 EP disclosed
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US disclosed
WO-2010073034-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2010-07-01 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 (2 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-20230339927-A1 ATR INHIBITORS AND USES THEREOF ATR, CHEK1, CHEK2 ATR 1/4885ATRIP 5/4885PIK3CA 317/4885
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ABCG2, CYP3A7, CYP2C19 ATR 2253/4885ATRIP 3336/4885PIK3CA 1564/4885

“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.