SCHEMBL21961701

SCHEMBL21961701

CCOC(=O)c1cnn2c(Cl)c(OC)c(Cl)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
HSD17B10 Q99714 6/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CSNK1D P48730 3/20 0.45
CASP1 P29466 3/20 0.45
CASP7 P55210 2/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 2/20 0.42
KLK7 P49862 1/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.40

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
SCHEMBL17781277 0.86 KDM4E (0.53) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL22105271 0.84 KDM4E (0.54) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL21961702 0.82 CCNA2 (0.45) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL19680296 0.81 KDM4E (0.55) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL25117830 0.79 ALDH1A1 (0.62) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL20697060 0.79 KDM4E (0.64) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL21961705 0.79 KDM4E (0.51) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL2801191 0.77 KDM4E (0.66) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL8184450 0.77 KDM4E (0.49) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL22820298 0.76 KDM4E (0.45) KDM4ENPC1RAB9AHSD17B10ALDH1A1

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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KDM4E 391/4885NPC1 4595/4885RAB9A 3462/4885

“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.