SCHEMBL3050475

SCHEMBL3050475

NCCCOc1ccc(-c2cc3cc(CN4CCCC(O)C4)ccc3[nH]2)c2c1CNC2=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.45
KDR P35968 5/20 0.45
LTA4H P09960 2/20 0.40
CHEK1 O14757 12/20 0.40
HTT P42858 1/20 0.37

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
SCHEMBL3050582 0.89 AURKA (0.50) AURKAKDRCHEK1
SCHEMBL3047075 0.85 CHEK1 (0.44) AURKAKDRCHEK1HTT
Hydrochloric Acid SCHEMBL3047652 0.84 AURKA (0.49) AURKAKDRCHEK1
Hydrochloric Acid SCHEMBL3048303 0.84 CHEK1 (0.42) AURKAKDRCHEK1HTT
SCHEMBL3043298 0.83 KDR (0.50) AURKAKDRCHEK1
Hydrochloric Acid SCHEMBL3034102 0.79 AURKA (0.47) AURKAKDRCHEK1
Hydrochloric Acid SCHEMBL3044349 0.79 CHEK1 (0.46) AURKAKDRCHEK1
SCHEMBL3049253 0.78 KDR (0.47) AURKAKDRCHEK1
SCHEMBL3041884 0.76 CHEK1 (0.47) AURKAKDRCHEK1
Hydrochloric Acid SCHEMBL3041954 0.76 CHEK1 (0.56) AURKAKDRCHEK1

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 AURKA 2312/4885KDR 3226/4885LTA4H 3371/4885

“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.