SCHEMBL22191096

SCHEMBL22191096

O=c1[nH]c2ccc(-c3ccc(NCc4ccc(F)cc4)nn3)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.52
▸ PSEN2 P49810 1/20 0.52
▸ APH1B Q8WW43 1/20 0.52
▸ NCSTN Q92542 1/20 0.52
▸ APH1A Q96BI3 1/20 0.52
▸ PSENEN Q9NZ42 1/20 0.52
▸ MAPT P10636 6/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ GAA P10253 3/20 0.45
▸ DYRK1A Q13627 2/20 0.44
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ GRIA1 P42261 1/20 0.40
▸ QPCT Q16769 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 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
SCHEMBL2562421 0.83 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12289930 0.82 DYRK1A (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22191476 0.82 GAA (0.44) MAPTGAADYRK1AMEN1KMT2A
SCHEMBL29437824 0.82 GAA (0.44) MAPTGAADYRK1AMEN1KMT2A
SCHEMBL22191291 0.82 CLK4 (0.46) MAPTGAADYRK1AMEN1KMT2A
SCHEMBL22191831 0.82 GPR55 (0.57) MAPTGAADYRK1AMEN1KMT2A
SCHEMBL14991117 0.82 GRIA1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22191333 0.81 AURKA (0.53) MAPTGAADYRK1AMEN1KMT2A
SCHEMBL12289961 0.79 PDE3B (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22191308 0.78 MKNK1 (0.53) MAPTGAADYRK1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064146-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 2022-03-03 — — US disclosed
EP-3906028-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 — — EP disclosed
CN-113543783-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-22 — — CN disclosed
WO-2020142486-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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, MAP3K20, CSNK1G3 PSEN1 973/4885PSEN2 817/4885APH1B 3155/4885

“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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