SCHEMBL22601447

SCHEMBL22601447

CC(=O)N1CCN(c2ccnc(C(C)C)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.50
CCNT1 O60563 4/20 0.48
CCNA2 P20248 4/20 0.48
CDK2 P24941 4/20 0.48
CDK9 P50750 4/20 0.48
CASP6 P55212 1/20 0.48
GFER P55789 1/20 0.48
TSHR P16473 2/20 0.46
CYP2C9 P11712 2/20 0.46
CLK1 P49759 1/20 0.45
ALK Q9UM73 2/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL17998799 0.80 HRH4 (0.57) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL10774082 0.80 HRH4 (0.51) MAPTMEN1KMT2AALOX15L3MBTL1
SCHEMBL27106846 0.79 WNT3A (0.52) CHEK1CASP6GFERTSHRCYP2C9
SCHEMBL25697407 0.79 HRH4 (0.54) MAPTMEN1KMT2ALMNAGAA
SCHEMBL11977015 0.78 CASP6 (0.53) CCNT1CCNA2CDK2CDK9CASP6
SCHEMBL22601449 0.77 HSD17B10 (0.55) CHEK1CASP6GFERTSHRCYP2C9
SCHEMBL23114440 0.77 CDK1 (0.45) CDK2MAPTCDK1
SCHEMBL11960306 0.76 LRRK2 (0.45) CCNA2CDK2TSHRALOX15HTT
SCHEMBL807537 0.76 CHEK1 (0.47) CHEK1CDK2MAPTMEN1KMT2A
SCHEMBL20252759 0.75 MAPT (0.51) MAPTMAPK1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 CHEK1 261/4885CCNT1 1314/4885CCNA2 2416/4885

“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.