SCHEMBL20064768

SCHEMBL20064768

CCc1cc(C(=O)O)nc2cc(-c3ccc(Br)nc3)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 6/20 0.40
HPGD P15428 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 3/20 0.39
MCL1 Q07820 3/20 0.39
ALDH1A1 P00352 5/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NFKB1 P19838 1/20 0.36

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
SCHEMBL20064769 0.89 MCL1 (0.50) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL20064726 0.87 NPC1 (0.53) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL20064751 0.83 KDM4E (0.40) KDM4EMAPTALDH1A1GAA
SCHEMBL20064790 0.83 FYN (0.40) RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL20064760 0.82 FYN (0.43) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL20064821 0.82 HCAR2 (0.35) MEN1KMT2AKDM4EHSD17B10LMNA
SCHEMBL20064770 0.81 MET (0.44) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL22223205 0.81 KDM4E (0.38) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL20064757 0.81 MCL1 (0.46) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL20064753 0.79 MET (0.45) NPC1RAB9AKDM4EMCL1POLB

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
EP-3288942-B1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-10-27 EP disclosed
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 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-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP NPC1 2620/4885RAB9A 1227/4885MEN1 4788/4885

“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.