SCHEMBL445560

SCHEMBL445560

CC(C)(C)OC(=O)NCc1ccnc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.48
STK17A Q9UEE5 1/20 0.48
ATR Q13535 1/20 0.46
AAK1 Q2M2I8 5/20 0.45
MAPKAPK2 P49137 2/20 0.44
KDM4A O75164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GAA P10253 1/20 0.40
NAMPT P43490 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL30467285 0.86 STK17B (0.52) STK17BSTK17AATRAAK1MAPKAPK2
SCHEMBL6221982 0.86 STK17B (0.52) STK17BSTK17AATRAAK1MAPKAPK2
SCHEMBL23795985 0.85 KDM4A (0.42) ATRKDM4AL3MBTL1CA12CA1
SCHEMBL10163757 0.81 AAK1 (0.45) ATRAAK1KDM4AL3MBTL1CA12
SCHEMBL30290047 0.81 KDM4A (0.41) ATRKDM4AL3MBTL1CA12CA1
SCHEMBL28606906 0.81 KDM4A (0.41) STK17BSTK17AATRKDM4AL3MBTL1
SCHEMBL28620381 0.81 KDM4A (0.41) ATRKDM4AL3MBTL1CA12CA1
SCHEMBL29634114 0.81 ATR (0.46) STK17BSTK17AATRKDM4AL3MBTL1
SCHEMBL10547182 0.81 ATR (0.46) STK17BSTK17AATRKDM4AL3MBTL1
SCHEMBL23795924 0.80 KDM4A (0.41) STK17BSTK17AATRKDM4AL3MBTL1

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-11866431-B2 Bicyclic compounds VIVACE THERAPEUTICS, INC. (US) 2024-01-09 US disclosed
US-20230061429-A1 BICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2023-03-02 US disclosed
WO-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 WO disclosed
EP-3877356-A1 BICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-09-15 EP disclosed
CN-113302175-A Bicyclic compounds 维瓦斯治疗公司 2021-08-24 CN disclosed
EP-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 EP disclosed
US-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators JANSSEN PHARMACEUTICA NV (BE) 2020-09-08 US disclosed
US-10550099-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors FORMA THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
EP-3194383-B1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS INC (US) 2019-11-06 EP disclosed
US-20190263779-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2019-08-29 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (10 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-11866431-B2 Bicyclic compounds YAP1, MYC, TEAD2 STK17B 465/4885STK17A 438/4885ATR 1600/4885
US-10550099-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors IDH1, IDH3A, IDH3B STK17B 526/4885STK17A 626/4885ATR 364/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO STK17B 3589/4885STK17A 3727/4885ATR 318/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR STK17B 3892/4885STK17A 3927/4885ATR 2257/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 STK17B 2499/4885STK17A 2411/4885ATR 894/4885
US-20230061429-A1 BICYCLIC COMPOUNDS YAP1, MYC, TEAD2 STK17B 465/4885STK17A 438/4885ATR 1600/4885
US-20190263779-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B STK17B 526/4885STK17A 626/4885ATR 364/4885
US-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators GRIN3A, GRIN3B, GRIN1 STK17B 691/4885STK17A 929/4885ATR 1607/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR STK17B 3892/4885STK17A 3927/4885ATR 2257/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 STK17B 2499/4885STK17A 2411/4885ATR 894/4885

“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.