SCHEMBL21992989

SCHEMBL21992989

COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(N)cc32)cc1-c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.58
KDM4E B2RXH2 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TSHR P16473 2/20 0.58
MAPT P10636 8/20 0.54
MEN1 O00255 6/20 0.51
ALDH1A1 P00352 3/20 0.51
USP7 Q93009 2/20 0.50
TOP2A P11388 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 2/20 0.42

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
SCHEMBL21993456 0.93 KMT2A (0.57) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21992999 0.93 KDM4E (0.57) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21993282 0.93 KMT2A (0.57) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21992962 0.93 KDM4E (0.68) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21993426 0.91 KDM4E (0.55) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21993251 0.90 MAPT (0.54) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21993253 0.87 KDM4E (0.51) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21992967 0.86 KDM4E (0.66) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21992926 0.84 MAPT (0.52) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21992961 0.83 MAPT (0.63) KMT2AKDM4ESMN1; SMN2TSHRMAPT

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-11141402-B2 Compounds useful in inhibiting human trefoil factor 3 NATIONAL UNIVERSITY OF SINGAPORE (SG) 2021-10-12 US disclosed
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 NATIONAL UNIVERSITY OF SINGAPORE (SG) 2020-05-14 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 (2 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-11141402-B2 Compounds useful in inhibiting human trefoil factor 3 ETF1, F3, DNASE1L3 KMT2A 4155/4885KDM4E 3966/4885SMN1; SMN2 3282/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 KMT2A 4155/4885KDM4E 3966/4885SMN1; SMN2 3282/4885

“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.