SCHEMBL21155876

SCHEMBL21155876

O=c1[nH]c2ccc(C3=NN=C(NCc4cccc5ccccc45)SC3)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 17/20 0.59
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL21156281 0.86 DYRK1A (0.58) DYRK1AGAA
SCHEMBL21156275 0.86 DYRK1A (0.58) DYRK1AGAAMAPT
SCHEMBL21156277 0.84 DYRK1A (0.56) DYRK1A
SCHEMBL21155869 0.84 DYRK1A (0.47) DYRK1A
SCHEMBL21156776 0.83 DYRK1A (0.60) DYRK1AGAAMAPT
SCHEMBL21155870 0.82 DYRK1A (0.52) DYRK1AGAA
SCHEMBL21156278 0.80 DYRK1A (0.61) DYRK1A
SCHEMBL21156284 0.80 DYRK1A (0.60) DYRK1A
SCHEMBL21156789 0.79 DYRK1A (0.57) DYRK1A
SCHEMBL21155877 0.78 DYRK1A (0.47) DYRK1A

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
US-11788064-B2 Method of increasing proliferation of pancreatic beta cells, treatment method, and composition ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-10-17 — — US disclosed
EP-3717475-B1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2023-06-07 — — EP disclosed
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-01-10 — — US disclosed
US-20210032601-A1 METHOD OF INCREASING PROLIFERATION OF PANCREATIC BETA CELLS, TREATMENT METHOD, AND COMPOSITION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-04 — — US disclosed
US-20200306257-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2020-10-01 — — US disclosed
WO-2019136320-A1 METHOD OF INCREASING PROLIFERATION OF PANCREATIC BETA CELLS, TREATMENT METHOD, AND COMPOSITION ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-07-11 — — 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 (4 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-20200306257-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 DYRK1A 464/4885PIK3CA 170/4885PIK3CB 247/4885
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use MAP3K20, MAP3K1, PACSIN2 DYRK1A 464/4885PIK3CA 170/4885PIK3CB 247/4885
US-11788064-B2 Method of increasing proliferation of pancreatic beta cells, treatment method, and composition IAPP, GLP1R, GPR119 DYRK1A 5/4885PIK3CA 1109/4885PIK3CB 777/4885
US-20210032601-A1 METHOD OF INCREASING PROLIFERATION OF PANCREATIC BETA CELLS, TREATMENT METHOD, AND COMPOSITION IAPP, GLP1R, GPR119 DYRK1A 5/4885PIK3CA 1109/4885PIK3CB 777/4885

“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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