SCHEMBL22190976

SCHEMBL22190976

Clc1cccc(Nc2ncc(I)cn2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.60
▸ HDAC1 Q13547 1/20 0.60
▸ HDAC2 Q92769 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60
▸ SYK P43405 1/20 0.57
▸ GRM5 P41594 3/20 0.54
▸ MAOB P27338 2/20 0.54
▸ JAK2 O60674 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ JAK3 P52333 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ BCR P11274 1/20 0.49
▸ PRKCA P17252 1/20 0.49
▸ PRKCD Q05655 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ IGF1R P08069 2/20 0.46
▸ HTR3E A5X5Y0 1/20 0.45
▸ HTR3B O95264 1/20 0.45

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
SCHEMBL3949289 0.83 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL30091782 0.83 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3951245 0.82 HDAC6 (0.58) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL22191608 0.79 GRM5 (0.49) SYKGRM5JAK3MAPTIDO1
SCHEMBL3947092 0.79 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL22404962 0.79 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL18434186 0.79 SYK (0.57) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL15332714 0.79 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL30091769 0.79 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL22191302 0.78 HDAC3 (0.56) 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.

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