SCHEMBL28644765

SCHEMBL28644765

O=c1[nH]c2ccc(-c3cnc(NCc4ccc(-c5ccccc5)cc4)nc3)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 1/20 0.55
▸ CHEK1 O14757 1/20 0.55
▸ PRKD3 O94806 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55
▸ CDK1 P06493 1/20 0.55
▸ LYN P07948 1/20 0.55
▸ RET P07949 1/20 0.55
▸ PIM1 P11309 1/20 0.55
▸ FER P16591 1/20 0.55
▸ CDK2 P24941 1/20 0.55
▸ MARK3 P27448 1/20 0.55
▸ FLT4 P35916 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ FLT3 P36888 1/20 0.55
▸ SYK P43405 1/20 0.55
▸ GSK3A P49840 1/20 0.55
▸ GSK3B P49841 1/20 0.55
▸ BLK P51451 1/20 0.55
▸ RPS6KA3 P51812 1/20 0.55
▸ LIMK1 P53667 1/20 0.55

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
SCHEMBL22191095 0.95 PLK4 (0.50) PLK4CHEK1PRKD3MAP4K4CDK1
SCHEMBL22190998 0.87 GAA (0.47) PDE3BPDE3AGAAMAPTKMT2A
SCHEMBL22191481 0.87 VNN1 (0.48) HDAC6HDAC3HDAC1HDAC2PDE3B
SCHEMBL22191518 0.86 PDE3B (0.45) PLK4CHEK1PRKD3MAP4K4CDK1
SCHEMBL22191347 0.86 PDE3B (0.60) PLK4CHEK1PRKD3MAP4K4CDK1
SCHEMBL22191488 0.85 KDM4E (0.47) PLK4CHEK1PRKD3MAP4K4CDK1
SCHEMBL22191472 0.84 DYRK1A (0.48) PDE3BPDE3AGAAKDM4EVNN1
SCHEMBL22191100 0.84 VNN1 (0.51) GSK3AGSK3BCLK4HDAC6GAA
SCHEMBL22191453 0.83 VNN1 (0.52) HDAC6HDAC3HDAC1HDAC2PDE3B
SCHEMBL22190941 0.82 HDAC1 (0.49) CDK2CLK4HDAC6HDAC3HDAC1

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 2 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
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

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 PLK4 387/4885CHEK1 161/4885PRKD3 58/4885

“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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