SCHEMBL22191381

SCHEMBL22191381

COc1cccc(NCc2cncc(-c3ccc4[nH]c(=O)[nH]c4c3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ROCK2 O75116 1/20 0.44
▸ GRK2 P25098 1/20 0.44
▸ IDH1 O75874 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ GRIA1 P42261 1/20 0.42
▸ CACNG8 Q8WXS5 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL22191546 0.88 GAA (0.46) GAAKDM4ECYP11B1CYP11B2KMT2A
SCHEMBL22191218 0.88 GAA (0.52) GAAKDM4EROCK2KMT2AMEN1
SCHEMBL22191140 0.84 PDE3B (0.47) GAAKDM4EKMT2AGRIA1CACNG8
SCHEMBL22191675 0.84 GAA (0.51) GAAKDM4EROCK2GRK2L3MBTL1
SCHEMBL22191367 0.84 GAA (0.46) GAAKDM4EL3MBTL1KMT2AGRIA1
SCHEMBL22191718 0.82 MAPT (0.47) GAAKDM4EROCK2GRK2L3MBTL1
SCHEMBL22191159 0.82 KDM4E (0.47) GAAKDM4EROCK2KMT2AMEN1
SCHEMBL22191419 0.80 MAPT (0.53) GAAL3MBTL1KMT2AGRIA1CACNG8
SCHEMBL22191810 0.78 THRB (0.53) GAAL3MBTL1KMT2AGRIA1CACNG8
SCHEMBL22191683 0.78 GAA (0.49) GAAKDM4EROCK2KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906233-B1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-31 — — EP disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 — — US disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 — — US disclosed
EP-3906233-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 — — EP disclosed
CN-113508111-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-15 — — CN disclosed
WO-2020142485-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-07-09 — — 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 (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-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 GAA 829/4885KDM4E 2309/4885ROCK2 387/4885

“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.

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