SCHEMBL22190814

SCHEMBL22190814

O=c1[nH]c2ccc(-c3cnc(Nc4ccc(Cl)cc4)nc3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 3/20 0.48
▸ CACNG8 Q8WXS5 3/20 0.48
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.46
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ AURKB Q96GD4 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ DYRK1A Q13627 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40

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
SCHEMBL22190851 0.87 MAPT (0.48) GRIA1CACNG8GAAMAPTPDE3B
SCHEMBL22191685 0.86 RET (0.51) GRIA1CACNG8MAPTPDE3BPDE3A
SCHEMBL22191468 0.86 HDAC3 (0.49) GRIA1CACNG8GAAMAPTPDE3B
SCHEMBL22191405 0.84 HDAC3 (0.47) MAPTPDE3BPDE3AHDAC3HDAC1
SCHEMBL22191481 0.83 VNN1 (0.48) GRIA1CACNG8GAATHRBPDE3B
SCHEMBL22190872 0.80 AURKB (0.55) GRIA1CACNG8MAPTPDE3BPDE3A
SCHEMBL22191365 0.80 GRM5 (0.45) GRIA1CACNG8PDE3BPDE3AAURKB
SCHEMBL29437830 0.80 AURKB (0.55) GRIA1CACNG8MAPTPDE3BPDE3A
SCHEMBL22191259 0.76 USP2 (0.50) GRIA1CACNG8ALDH1A1CDK1CDK2
SCHEMBL22190922 0.75 HDAC3 (0.52) GRIA1CACNG8GAAMAPTTHRB

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 GRIA1 834/4885CACNG8 2127/4885GAA 1058/4885

“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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