SCHEMBL22191011

SCHEMBL22191011

O=c1[nH]c2ccc(-c3cc(NCc4ccccc4)ncn3)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 16/20 0.59
▸ HSD17B10 Q99714 13/20 0.59
▸ CLK4 Q9HAZ1 12/20 0.59
▸ CYP2D6 P10635 12/20 0.59
▸ ALDH1A1 P00352 12/20 0.59
▸ CYP3A4 P08684 11/20 0.59
▸ MAPK1 P28482 7/20 0.58
▸ TP53 P04637 6/20 0.58
▸ KDM4E B2RXH2 5/20 0.58
▸ HPGD P15428 5/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ USP2 O75604 2/20 0.56
▸ CYP2C19 P33261 11/20 0.56
▸ TSHR P16473 8/20 0.56
▸ HIF1A Q16665 5/20 0.56
▸ ALOX15 P16050 2/20 0.52
▸ CDC7 O00311 1/20 0.51

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
SCHEMBL22191291 0.88 CLK4 (0.46) CYP1A2HSD17B10CLK4CYP2D6ALDH1A1
SCHEMBL16664936 0.84 CDC25A (0.45) CYP1A2HSD17B10CLK4CYP2D6ALDH1A1
SCHEMBL22191266 0.83 TPH1 (0.49) CYP1A2HSD17B10CLK4CYP2D6ALDH1A1
SCHEMBL22191334 0.80 PLK4 (0.48) CLK4ALDH1A1TP53KDM4EHPGD
SCHEMBL22191355 0.80 FYN (0.60) CLK4MAPK1ROCK2PIM1PRKACA
SCHEMBL22191614 0.78 DYRK1A (0.54) CLK4CDC7CDK2DYRK1ACLK1
SCHEMBL22191095 0.77 PLK4 (0.50) CLK4KMT2AMAPTPLK4CHEK1
SCHEMBL28644765 0.72 PLK4 (0.55) CLK4KDM4EMEN1KMT2AMAPT
SCHEMBL22191227 0.72 PDE3B (0.47) CLK4KDM4EKMT2AMAPTPLK4
SCHEMBL22191476 0.71 GAA (0.44) CYP1A2CYP2D6ALDH1A1TP53KDM4E

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 CYP1A2 4688/4885HSD17B10 3368/4885CLK4 327/4885

“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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