SCHEMBL22191218

SCHEMBL22191218

COc1cccc(CNc2cncc(-c3ccc4[nH]c(=O)[nH]c4c3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ROCK2 O75116 8/20 0.46
▸ PRKACA P17612 4/20 0.46
▸ PRKACG P22612 4/20 0.46
▸ PRKACB P22694 4/20 0.46
▸ ROCK1 Q13464 3/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ BRD4 O60885 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HIF1A Q16665 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CLK1 P49759 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43

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
SCHEMBL22191159 0.88 KDM4E (0.47) GAAKDM4EROCK2ROCK1KMT2A
SCHEMBL22191381 0.88 GAA (0.47) GAAKDM4EROCK2KMT2AMEN1
SCHEMBL22191442 0.87 KDM4E (0.49) GAAKDM4EROCK2ROCK1
SCHEMBL22191227 0.84 PDE3B (0.47) GAAKDM4EKMT2AEGFRMAPT
SCHEMBL22191602 0.84 GAA (0.48) GAAKDM4EROCK2BRD4EGFR
SCHEMBL22191607 0.84 FYN (0.54) GAAKDM4EROCK2ROCK1KMT2A
SCHEMBL22191838 0.84 CCNT1 (0.48) GAAKDM4EROCK2KMT2AMEN1
SCHEMBL22191683 0.84 GAA (0.49) GAAKDM4EROCK2PRKACAPRKACG
SCHEMBL22191546 0.82 GAA (0.46) GAAKDM4EKMT2AMEN1HIF1A
SCHEMBL22191151 0.81 BCL6 (0.48) KDM4EKMT2AMEN1MAPTCLK1

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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