SCHEMBL7860722

SCHEMBL7860722

CNC(=O)c1cc(C)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.56
KCNMA1 Q12791 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
STAT3 P40763 1/20 0.51
POLB P06746 3/20 0.51
GAA P10253 2/20 0.51
ACHE P22303 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
AHR P35869 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL1003770 0.87 PLK1 (0.54) PLK1KCNMA1ALDH1A1POLBGAA
SCHEMBL257948 0.84 MMP13 (0.59) PLK1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL12852646 0.82 POLB (0.55) PLK1KCNMA1ALDH1A1CYP1A2CYP2C9
SCHEMBL22109017 0.82 PLK1 (0.53) PLK1KCNMA1ALDH1A1POLBGAA
SCHEMBL3871499 0.82 LMNA (0.69) KCNMA1ALDH1A1POLBGAATP53
SCHEMBL655826 0.82 ALDH1A1 (0.53) PLK1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL31743126 0.82 LMNA (0.69) KCNMA1ALDH1A1POLBGAATP53
SCHEMBL22444898 0.82 ALDH1A1 (0.64) PLK1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19014242 0.82 PLK1 (0.53) PLK1ALDH1A1CYP1A2CYP2C19POLB
SCHEMBL7860488 0.82 ALDH1A1 (0.54) ALDH1A1POLBGAASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377444-B2 Pyridopyrimidine compounds acting as mTORC 1/2 dual inhibitors MEDSHINE DISCOVERY INC. (CN) 2022-07-05 US disclosed
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 US disclosed
EP-3939962-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-01-19 EP disclosed
EP-3896056-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-20 EP disclosed
US-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (AE) 2021-07-22 US disclosed
EP-3430012-B1 4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBONITRILE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 EP disclosed
US-20200339568-A1 PYRIDOPYRIMIDINE COMPOUNDS ACTING AS MTORC 1/2 DOUBLE-KINASE INHIBITORS MEDSHINE DISCOVERY INC. (CN) 2020-10-29 US disclosed
WO-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 WO disclosed
EP-3712157-A1 PYRIDOPYRIMIDINE COMPOUNDS ACTING AS MTORC 1/2 DOUBLE-KINASE INHIBITORS Medshine Discovery Inc. (CN) 2020-09-23 EP disclosed
WO-2020122182-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF 中外製薬株式会社 2020-06-18 WO disclosed
US-7902189-B2 antitumor agent, anticarcinogenic agents; 7-Chloro-2-((2S,6R)-2,6-dimethyl-morpholin-4-yl)-4-morpholin-4-yl-pyrido[2,3-d]pyrimidine; inhibitors of mTOR kinase ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-7902189-B2 antitumor agent, anticarcinogenic agents; 7-Chloro-2-((2S,6R)-2,6-dimethyl-morpholin-4-yl)-4-morpholin-4-yl-pyrido[2,3-d]pyrimidine; inhibitors of mTOR kinase ASTRAZENECA AB (SE) 2011-03-08 US disclosed
WO-2009050506-A2 COMBINATION 059 ASTRAZENECA AB (SE) 2009-04-23 WO disclosed
US-20090099174-A1 COMBINATION 059 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099174-A1 COMBINATION 059 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
US-20080081809-A1 Novel Compounds KUDOS PHARMACEUTICALS LIMITED (GB) 2008-04-03 US disclosed
US-20080081809-A1 Novel Compounds KUDOS PHARMACEUTICALS LIMITED (GB) 2008-04-03 US disclosed
WO-2008023161-A1 2-METHYLMORPHOLINE PYRIDO-, PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-02-28 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-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER USP7, USP1, USP3 PLK1 2185/4885KCNMA1 4162/4885ALDH1A1 567/4885
US-20090099174-A1 COMBINATION 059 MTOR, RICTOR, MAPK9 PLK1 186/4885KCNMA1 2750/4885ALDH1A1 3754/4885
US-11377444-B2 Pyridopyrimidine compounds acting as mTORC 1/2 dual inhibitors MTOR, RICTOR, MAPKAP1 PLK1 220/4885KCNMA1 3317/4885ALDH1A1 3345/4885
US-20200339568-A1 PYRIDOPYRIMIDINE COMPOUNDS ACTING AS MTORC 1/2 DOUBLE-KINASE INHIBITORS MTOR, RICTOR, MAPKAP1 PLK1 175/4885KCNMA1 2765/4885ALDH1A1 3836/4885
US-20080081809-A1 Novel Compounds SLC10A1, ABCB11, PKD1 PLK1 238/4885KCNMA1 1596/4885ALDH1A1 353/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR PLK1 3031/4885KCNMA1 2144/4885ALDH1A1 1120/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A PLK1 3231/4885KCNMA1 3901/4885ALDH1A1 4391/4885

“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.