SCHEMBL22191468

SCHEMBL22191468

O=c1[nH]c2ccc(-c3cnc(Nc4cccc(Cl)c4)nc3)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ GRIA1 P42261 3/20 0.47
▸ CACNG8 Q8WXS5 3/20 0.47
▸ SYK P43405 1/20 0.44
▸ MAOB P27338 2/20 0.44
▸ GRM5 P41594 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ ERBB2 P04626 2/20 0.44
▸ PTK6 Q13882 2/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ BCR P11274 1/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ PRKCD Q05655 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 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
SCHEMBL22191365 0.86 GRM5 (0.45) GRIA1CACNG8SYKGRM5JAK1
SCHEMBL22190814 0.86 GRIA1 (0.48) HDAC3HDAC1HDAC2HDAC6GRIA1
SCHEMBL22191685 0.86 RET (0.51) HDAC3HDAC1HDAC2HDAC6GRIA1
SCHEMBL22191259 0.82 USP2 (0.50) GRIA1CACNG8SYKJAK1JAK3
SCHEMBL22190922 0.82 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC6GRIA1
SCHEMBL29437830 0.79 AURKB (0.55) HDAC3HDAC1HDAC2HDAC6GRIA1
SCHEMBL22190872 0.79 AURKB (0.55) HDAC3HDAC1HDAC2HDAC6GRIA1
SCHEMBL22190851 0.79 MAPT (0.48) HDAC3HDAC1HDAC2HDAC6GRIA1
SCHEMBL28528908 0.77 GRIA1 (0.65) GRIA1CACNG8GAAMAPTPDE3B
SCHEMBL22191405 0.76 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6SYK

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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