SCHEMBL454489

SCHEMBL454489

CC(C)(C)OC(=O)c1cc(Cl)nc(NN)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.38
ATR Q13535 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CA14 Q9ULX7 1/20 0.35
SLC7A5 Q01650 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL30612226 1.00 STAT3 (0.38) STAT3ATRALDH1A1CA12CA1
SCHEMBL454678 0.84 ALDH1A1 (0.40) STAT3ATRALDH1A1CA12CA1
SCHEMBL21551425 0.79 ATR (0.48) ATRALDH1A1CA12CA1CA2
SCHEMBL30931841 0.79 ATR (0.48) ATRALDH1A1CA12CA1CA2
SCHEMBL2711566 0.79 ALDH1A1 (0.53) STAT3ATRALDH1A1CA12CA1
SCHEMBL23304492 0.79 TDP1 (0.44) ATRKDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL1425447 0.78 ALDH1A1 (0.39) STAT3ALDH1A1CA12CA1CA2
SCHEMBL443826 0.78 ALDH1A1 (0.37) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL11454458 0.78 STK17B (0.37) ALDH1A1KDM4ESTK17BSTK17A
SCHEMBL23684086 0.77 CA12 (0.38) STAT3ATRALDH1A1CA12CA1

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
US-20250214991-A1 BICYCLIC HETEROARYL-CONTAINING COMPOUNDS AS IKZF2 DEGRADERS ONCOPIA THERAPEUTICS, INC. D/B/A/ SK LIFE SCIENCE LABS 2025-07-03 US disclosed
EP-4499629-A1 BICYCLIC HETEROARYL-CONTAINING COMPOUNDS AS IKZF2 DEGRADERS Oncopia Therapeutics, Inc. D/B/A SK Life Science Labs (US) 2025-02-05 EP disclosed
WO-2023183919-A1 BICYCLIC HETEROARYL-CONTAINING COMPOUNDS AS IKZF2 DEGRADERS ONCOPIA THERAPEUTICS, INC. D/B/A PROTEOVANT THERAPEUTICS, INC. (US) 2023-09-28 WO disclosed
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
EP-2410857-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 STAT3 2474/4885ATR 4458/4885ALDH1A1 2538/4885
US-20250214991-A1 BICYCLIC HETEROARYL-CONTAINING COMPOUNDS AS IKZF2 DEGRADERS IKZF1, IKZF2, IKZF3 STAT3 1485/4885ATR 3877/4885ALDH1A1 3438/4885

“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.