SCHEMBL21264058

SCHEMBL21264058

CCOC(=O)c1[nH]c(-c2ccc(Br)cc2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
KDM4E B2RXH2 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RECQL P46063 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.46
HTT P42858 2/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45

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
SCHEMBL2748256 0.88 LMNA (0.54) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5771002 0.86 GCGR (0.55) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5774019 0.86 MAPT (0.54) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5775657 0.86 ALDH1A1 (0.52) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2748270 0.85 HPGD (0.56) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5772136 0.82 POLB (0.44) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5771719 0.82 SLC6A2 (0.48) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5773315 0.81 ALDH1A1 (0.50) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6268999 0.81 MEN1 (0.51) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL22996141 0.78 QDPR (0.41) MAPTKDM4ENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 US disclosed
CN-111868036-A Heterocyclic ring P2Y14Receptor antagonists 美国政府健康与人类服务部 2020-10-30 CN disclosed
WO-2019157417-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-15 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-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 MAPT 4884/4885KDM4E 3486/4885NPC1 3086/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 MAPT 4884/4885KDM4E 3486/4885NPC1 3086/4885

“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.