SCHEMBL22191371

SCHEMBL22191371

O=c1[nH]c2ccc(-c3cncc(NCc4ccncc4)c3)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.57
▸ PDE3A Q14432 3/20 0.57
▸ GRIA1 P42261 1/20 0.46
▸ CACNG8 Q8WXS5 1/20 0.46
▸ DYRK1A Q13627 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ FYN P06241 1/20 0.40
▸ GAA P10253 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ THRB P10828 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL22191227 0.90 PDE3B (0.47) PDE3BPDE3AGRIA1CACNG8KDM4E
SCHEMBL22191410 0.88 MAPT (0.50) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL22191660 0.88 THRB (0.50) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL22191691 0.88 PLK4 (0.48) PDE3BPDE3AGRIA1CACNG8KDM4E
SCHEMBL22191151 0.87 BCL6 (0.48) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL22191749 0.85 LRRK2 (0.47) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL22191159 0.85 KDM4E (0.47) PDE3BPDE3ADYRK1AKDM4EFYN
SCHEMBL22191669 0.84 DYRK1A (0.46) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL22191426 0.82 GABRA1 (0.43) PDE3BPDE3AGRIA1CACNG8KDM4E
SCHEMBL22191347 0.82 PDE3B (0.60) PDE3BPDE3AGRIA1CACNG8DYRK1A

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 PDE3B 855/4885PDE3A 729/4885GRIA1 1007/4885

“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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