SCHEMBL22191291

SCHEMBL22191291

O=c1[nH]c2ccc(-c3cc(NCc4ccc(F)cc4)ncn3)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 9/20 0.46
▸ DYRK1A Q13627 5/20 0.46
▸ CYP1A2 P05177 7/20 0.46
▸ HSD17B10 Q99714 7/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ CYP3A4 P08684 5/20 0.46
▸ CYP2D6 P10635 5/20 0.46
▸ MAPK1 P28482 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ CYP2C19 P33261 3/20 0.43
▸ USP2 O75604 2/20 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
SCHEMBL22191011 0.88 CYP1A2 (0.59) CLK4DYRK1ACYP1A2HSD17B10ALDH1A1
SCHEMBL22191476 0.84 GAA (0.44) DYRK1ACYP1A2ALDH1A1CYP2D6MEN1
SCHEMBL29437824 0.84 GAA (0.44) DYRK1ACYP1A2ALDH1A1CYP2D6MEN1
SCHEMBL22191096 0.82 PSEN1 (0.52) DYRK1AALDH1A1MEN1KMT2AMAPT
SCHEMBL16664936 0.82 CDC25A (0.45) CLK4CYP1A2HSD17B10ALDH1A1CYP3A4
SCHEMBL22191831 0.81 GPR55 (0.57) DYRK1ACYP1A2ALDH1A1CYP2D6MEN1
SCHEMBL22191333 0.80 AURKA (0.53) DYRK1AALDH1A1MEN1KMT2AMAPT
SCHEMBL22191308 0.79 MKNK1 (0.53) CLK4DYRK1AMEN1KMT2AMAPT
SCHEMBL22190998 0.78 GAA (0.47) DYRK1ACYP1A2ALDH1A1CYP2D6MEN1
SCHEMBL22191410 0.73 MAPT (0.50) DYRK1AALDH1A1MEN1KMT2AMAPT

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 CLK4 327/4885DYRK1A 479/4885CYP1A2 4688/4885

“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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