SCHEMBL22191277

SCHEMBL22191277

O=C1Cc2cc(-c3cncc(NCc4ccccc4)c3)ccc2N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.60
▸ CDC7 O00311 1/20 0.60
▸ CCNE1 P24864 1/20 0.60
▸ DBF4 Q9UBU7 1/20 0.60
▸ AKT1 P31749 4/20 0.56
▸ CYP11B2 P19099 4/20 0.55
▸ CYP1A2 P05177 3/20 0.55
▸ CYP11B1 P15538 3/20 0.55
▸ PDE3B Q13370 2/20 0.51
▸ PDE3A Q14432 2/20 0.51
▸ IRAK4 Q9NWZ3 2/20 0.51
▸ JAK3 P52333 1/20 0.51
▸ PTK2 Q05397 2/20 0.49
▸ PTK2B Q14289 2/20 0.49
▸ BMPR1B O00238 1/20 0.49
▸ BMPR1A P36894 1/20 0.49
▸ TGFBR1 P36897 1/20 0.49
▸ ACVRL1 P37023 1/20 0.49
▸ ACVR1 Q04771 1/20 0.49
▸ PGR P06401 1/20 0.45

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
SCHEMBL22191180 0.83 CDC7 (0.63) CDK2CDC7CCNE1DBF4AKT1
SCHEMBL5639514 0.81 JAK3 (0.60) CDK2CDC7CCNE1DBF4IRAK4
SCHEMBL15797963 0.79 CYP1A2 (0.49) CDK2CDC7CCNE1DBF4AKT1
SCHEMBL24449917 0.78 BMPR1B (0.55) CDK2CDC7CCNE1DBF4AKT1
SCHEMBL15807026 0.78 FGFR1 (0.61) CDK2CDC7CCNE1DBF4AKT1
SCHEMBL28020324 0.78 FGFR1 (0.61) CDK2CDC7CCNE1DBF4AKT1
SCHEMBL13743125 0.78 KCNH2 (0.56) CYP11B2CYP1A2
SCHEMBL22191227 0.75 PDE3B (0.47) CDK2CYP11B2PDE3BPDE3AGRIA1
SCHEMBL15799235 0.75 AKT1 (0.52) CDK2AKT1CYP11B2CYP1A2CYP11B1
SCHEMBL3132725 0.75 PGR (0.73) CDK2CDC7CCNE1DBF4CYP11B2

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 CDK2 84/4885CDC7 390/4885CCNE1 753/4885

“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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