SCHEMBL21033596

SCHEMBL21033596

Cn1cc(-c2ccc3nc(C(=O)O)cn3n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.51
CHEK1 O14757 1/20 0.50
FYN P06241 6/20 0.47
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
STING1 Q86WV6 1/20 0.44
GRK5 P34947 1/20 0.44
CSNK1D P48730 2/20 0.42
CSNK1E P49674 2/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
RIPK1 Q13546 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
GRM2 Q14416 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
SCHEMBL30845796 0.90 GRM2 (0.49) PIK3CGCHEK1FYNCCNCCDK8
SCHEMBL21033576 0.84 KDM4E (0.60) PIK3CGCHEK1FYNRIPK1
SCHEMBL21033570 0.80 FYN (0.42) PIK3CGCHEK1FYNGRK5RIPK1
SCHEMBL21033166 0.77 USP30 (0.55) PIK3CGCHEK1CCNCCDK8PIM1
SCHEMBL16598687 0.76 KDM4E (0.48) CSNK1DCSNK1E
SCHEMBL3498169 0.76 KMO (0.47)
SCHEMBL21033340 0.76 CHEK1 (0.47) CHEK1FYNCCNCCDK8STING1
SCHEMBL22534369 0.76 STING1 (0.60) CHEK1FYNCCNCCDK8STING1
SCHEMBL21033209 0.75 KDM4E (0.39) CDK8CSNK1DCSNK1E
SCHEMBL21033225 0.75 CHEK1 (0.50) PIK3CGCHEK1FYNCCNCCDK8

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-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT EPISCRIBE LLC 2021-12-02 US disclosed
WO-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 WO 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-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 PIK3CG 3484/4885CHEK1 527/4885FYN 757/4885

“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.