SCHEMBL3045928

SCHEMBL3045928

O=C1NCc2c(OS(=O)(=O)c3ccc(F)cc3Cl)ccc(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)c21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.43
KDR P35968 3/20 0.40
AURKA O14965 2/20 0.40
CDK7 P50613 3/20 0.36
FLT3 P36888 1/20 0.35

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
SCHEMBL3037259 0.93 CHEK1 (0.44) CHEK1KDRAURKACDK7
SCHEMBL3038069 0.91 CHEK1 (0.42) CHEK1KDRAURKACDK7
SCHEMBL3034561 0.91 CHEK1 (0.42) CHEK1KDRAURKACDK7
SCHEMBL3039315 0.91 CHEK1 (0.42) CHEK1KDRAURKACDK7FLT3
Hydrochloric Acid SCHEMBL3049539 0.90 CHEK1 (0.44) CHEK1KDRAURKACDK7
SCHEMBL3043684 0.88 CHEK1 (0.42) CHEK1KDRAURKACDK7
SCHEMBL3046409 0.87 AURKA (0.44) CHEK1KDRAURKA
SCHEMBL3048867 0.87 AURKA (0.45) CHEK1KDRAURKA
SCHEMBL3051094 0.87 CHEK1 (0.46) CHEK1KDRAURKACDK7
SCHEMBL3048839 0.87 AURKA (0.42) CHEK1KDRAURKA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 CHEK1 3306/4885KDR 3226/4885AURKA 2312/4885

“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.