SCHEMBL20869963

SCHEMBL20869963

CC(C)n1ccc2c(C(=O)Nc3ccccn3)cc(-c3cccs3)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.52
ALDH1A1 P00352 10/20 0.52
MAPT P10636 7/20 0.52
GAA P10253 3/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 4/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ATM Q13315 1/20 0.44
PKM P14618 1/20 0.44
MCL1 Q07820 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 2/20 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
SCHEMBL20870024 0.86 TP53 (0.50) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL29944917 0.84 KDM4E (0.53) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL24334609 0.84 KDM4E (0.53) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL20869962 0.83 KMT2A (0.50) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL20869961 0.82 TP53 (0.51) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL23633375 0.74 MAT2A (0.49) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL16783126 0.69 RXFP1 (0.55) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL3859996 0.69 CNR2 (0.60) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL16783112 0.69 RXFP1 (0.48) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL16783147 0.68 KDM4E (0.67) KDM4EALDH1A1MAPTGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3687529-B1 POTENT ANTIVIRAL PYRIDINE-CONTAINING COMPOUNDS UNIV CALIFORNIA (US) 2023-07-12 EP disclosed
US-11180498-B2 Substituted pyrrolo[2,3-b]pyridines, pyrazolo[3,4-d]pyrimidines and [1,2,3]triazolo[4,5-b]pyridines as potent antivirals THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-23 US disclosed
US-20200223842-A1 POTENT ANTIVIRAL PYRIDINE-CONTAINING COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-16 US disclosed
WO-2019067623-A1 POTENT ANTIVIRAL PYRIDINE-CONTAINING COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-04-04 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 (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-11180498-B2 Substituted pyrrolo[2,3-b]pyridines, pyrazolo[3,4-d]pyrimidines and [1,2,3]triazolo[4,5-b]pyridines as potent antivirals PNPO, TYMS, TYMP KDM4E 1843/4885ALDH1A1 2521/4885MAPT 3504/4885
US-20200223842-A1 POTENT ANTIVIRAL PYRIDINE-CONTAINING COMPOUNDS ZC3HAV1, MAVS, SARS1 KDM4E 692/4885ALDH1A1 1563/4885MAPT 3612/4885

“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.