SCHEMBL22191302

SCHEMBL22191302

Clc1ccc(Nc2ncc(I)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ GRM5 P41594 4/20 0.49
▸ ADORA3 P0DMS8 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ SCN9A Q15858 2/20 0.46
▸ STK17A Q9UEE5 7/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ STK17B O94768 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL22191032 0.80 AURKA (0.56) HDAC3HDAC1HDAC2HDAC6SCN9A
SCHEMBL18542558 0.79 HDAC6 (0.53) HDAC6SLC6A2KDRSTK17AMAOA
SCHEMBL22190976 0.78 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC6GRM5
SCHEMBL14801200 0.77 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6GRM5
SCHEMBL27714382 0.77 SCN9A (0.59) HDAC3HDAC1HDAC2HDAC6ADORA3
SCHEMBL15331981 0.76 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC6GRM5
SCHEMBL14800015 0.76 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC6GRM5
SCHEMBL22191045 0.76 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC6GRM5
Hydrochloric Acid SCHEMBL14800138 0.76 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC6GRM5
SCHEMBL28302532 0.75 ADORA3 (0.59) HDAC3HDAC1HDAC2HDAC6GRM5

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 HDAC3 831/4885HDAC1 739/4885HDAC2 1246/4885

“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