SCHEMBL22191007

SCHEMBL22191007

CC(Nc1ncc(I)cn1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.59
HDAC1 Q13547 4/20 0.59
HDAC3 O15379 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC4 P56524 2/20 0.49
ATP1A1 P05023 4/20 0.49
ATP1B1 P05026 4/20 0.49
ATP1A3 P13637 4/20 0.49
ATP1B2 P14415 4/20 0.49
ATP1A2 P50993 4/20 0.49
ATP1B3 P54709 4/20 0.49
FXYD2 P54710 4/20 0.49
ATP1A4 Q13733 4/20 0.49
LCK P06239 2/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL22191545 1.00 HDAC6 (0.59) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL22191185 1.00 HDAC6 (0.59) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL20491075 0.82 HDAC6 (0.63) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL23938187 0.79 HDAC4 (0.48) HDAC6HDAC1HDAC4ATP1A1ATP1B1
SCHEMBL21046841 0.78 GAA (0.38) HDAC6HDAC1HDAC3HDAC2LCK
SCHEMBL20491104 0.78 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL2558127 0.78 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL8738685 0.74 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2
SCHEMBL4729483 0.74 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2
SCHEMBL4730094 0.74 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2

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 HDAC6 1097/4885HDAC1 739/4885HDAC3 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.