SCHEMBL4057633

SCHEMBL4057633

CC(=O)Nc1cccc(-c2cnc3nc(-c4cccc(OC(C)C)c4)[nH]c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
KDM4E B2RXH2 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 4/20 0.53
POLB P06746 3/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 2/20 0.53
HSD17B10 Q99714 1/20 0.53
AURKA O14965 2/20 0.50
CHEK1 O14757 2/20 0.49
FGFR1 P11362 1/20 0.49
NEK2 P51955 1/20 0.49
MAPK15 Q8TD08 1/20 0.49
CNR1 P21554 1/20 0.47
DHODH Q02127 2/20 0.46
PARP1 P09874 1/20 0.46
MAPT P10636 4/20 0.46
FAAH O00519 1/20 0.45
DYRK1A Q13627 2/20 0.44

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
SCHEMBL13608388 0.85 SMN1; SMN2 (0.53) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4053786 0.84 AURKA (0.60) AURKAPARP1
SCHEMBL4058280 0.83 AURKA (0.50) MEN1KMT2AAURKA
SCHEMBL4055805 0.83 AURKA (0.47) AURKAFGFR1DHODHGAA
SCHEMBL4054788 0.80 AURKA (0.47) AURKAFGFR1
SCHEMBL4054621 0.80 AURKA (0.47) AURKA
SCHEMBL4051344 0.79 USP30 (0.47) AURKA
SCHEMBL4051797 0.79 AURKA (0.44) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4054849 0.79 AURKA (0.49) AURKADHODH
SCHEMBL4053244 0.78 AURKA (0.46) AURKA

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B MEN1 3709/4885KMT2A 784/4885KDM4E 496/4885

“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.