SCHEMBL22190941

SCHEMBL22190941

O=c1[nH]c2ccc(-c3cnc(NCc4cccnc4)nc3)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ HDAC3 O15379 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ PDE3B Q13370 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ DYRK1A Q13627 6/20 0.48
▸ CLK4 Q9HAZ1 5/20 0.48
▸ CLK1 P49759 4/20 0.48
▸ CLK2 P49760 3/20 0.48
▸ DYRK1B Q9Y463 3/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ CLK3 P49761 1/20 0.48
▸ VNN1 O95497 8/20 0.48
▸ BCL6 P41182 1/20 0.48
▸ BCOR Q6W2J9 1/20 0.48
▸ CCNK O75909 1/20 0.45
▸ CDK12 Q9NYV4 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL22191095 0.87 PLK4 (0.50) HDAC1HDAC6HDAC3HDAC2PDE3B
SCHEMBL22191347 0.86 PDE3B (0.60) HDAC1HDAC6HDAC3HDAC2PDE3B
SCHEMBL22191151 0.83 BCL6 (0.48) PDE3BPDE3ADYRK1ACLK4CLK1
SCHEMBL22191321 0.83 DYRK1A (0.48) PDE3BPDE3ADYRK1ACLK4CLK1
SCHEMBL28644765 0.82 PLK4 (0.55) HDAC1HDAC6HDAC3HDAC2PDE3B
SCHEMBL22191091 0.82 GAA (0.42) HDAC1HDAC6HDAC3HDAC2PDE3B
SCHEMBL22190922 0.82 HDAC3 (0.52) HDAC1HDAC6HDAC3HDAC2DYRK1A
SCHEMBL22191699 0.81 HDAC3 (0.47) HDAC1HDAC6HDAC3HDAC2PDE3B
SCHEMBL22191488 0.81 KDM4E (0.47) HDAC1HDAC6HDAC3HDAC2PDE3B
SCHEMBL22191481 0.80 VNN1 (0.48) HDAC1HDAC6HDAC3HDAC2PDE3B

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 HDAC1 739/4885HDAC6 1097/4885HDAC3 831/4885

“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.

Send feedback