SCHEMBL3034121

SCHEMBL3034121

CC(=O)N1CCN(C(=O)c2ccc3[nH]c(-c4ccc(Cl)c5c4C(=O)NC5)cc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.48
AURKA O14965 3/20 0.42
CDK1 P06493 1/20 0.42
F10 P00742 3/20 0.40
MGLL Q99685 2/20 0.40
HRH4 Q9H3N8 1/20 0.39
PARP1 P09874 1/20 0.39
CHEK1 O14757 3/20 0.37
EIF4E P06730 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3048935 0.93 KDR (0.58) KDRAURKACDK1HRH4PARP1
SCHEMBL3047573 0.91 KDR (0.46) KDRAURKACDK1F10HRH4
SCHEMBL3043745 0.90 KDR (0.47) KDRAURKACDK1F10MGLL
SCHEMBL3044089 0.89 KDR (0.45) KDRAURKACDK1F10MGLL
SCHEMBL3047646 0.88 KDR (0.45) KDRAURKACDK1F10MGLL
SCHEMBL3051432 0.88 KDR (0.46) KDRAURKACDK1MGLLALDH1A1
SCHEMBL5047138 0.87 LMNA (0.49) KDRAURKACDK1MGLLALDH1A1
SCHEMBL3051090 0.87 PARP1 (0.46) KDRAURKACDK1F10MGLL
Hydrochloric Acid SCHEMBL3047329 0.86 KDR (0.52) KDRAURKACDK1F10MGLL
SCHEMBL3048251 0.86 KDR (0.45) KDRAURKA

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-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

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 KDR 3226/4885AURKA 2312/4885CDK1 922/4885

“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.