SCHEMBL22190851

SCHEMBL22190851

O=c1[nH]c2ccc(-c3cnc(Nc4ccc(F)cc4)nc3)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ PDE3B Q13370 2/20 0.46
▸ PDE3A Q14432 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ GRIA1 P42261 4/20 0.42
▸ CACNG8 Q8WXS5 1/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ AURKA O14965 1/20 0.40

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
SCHEMBL22191365 0.87 GRM5 (0.45) PDE3BPDE3AKDM4EGRIA1CACNG8
SCHEMBL22190814 0.87 GRIA1 (0.48) MAPTALDH1A1PDE3BPDE3AGAA
SCHEMBL22191685 0.86 RET (0.51) MAPTALDH1A1PDE3BPDE3AHDAC3
SCHEMBL22191405 0.84 HDAC3 (0.47) MAPTALDH1A1PDE3BPDE3AHDAC3
SCHEMBL22190998 0.83 GAA (0.47) MAPTALDH1A1PDE3BPDE3AGAA
SCHEMBL22190930 0.80 AURKB (0.44) MAPTALDH1A1PDE3BPDE3AGAA
SCHEMBL22191468 0.79 HDAC3 (0.49) MAPTPDE3BPDE3AGAAHDAC3
SCHEMBL22191259 0.78 USP2 (0.50) ALDH1A1GRIA1CACNG8
SCHEMBL14937159 0.77 MAPT (0.40) MAPTALDH1A1PDE3BPDE3AGAA
SCHEMBL22191321 0.76 DYRK1A (0.48) MAPTALDH1A1PDE3BPDE3AGAA

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 MAPT 1414/4885ALDH1A1 4521/4885PDE3B 1034/4885

“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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