SCHEMBL21264061

SCHEMBL21264061

COC(=O)c1cc(-c2ccc(C(N)=O)cc2)cc(-c2cc3cc(C(F)(F)F)ccc3[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 6/20 0.57
HPN P05981 1/20 0.45
MAP2K4 P45985 1/20 0.45
DHODH Q02127 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
CHEK2 O96017 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CFTR P13569 1/20 0.39
OPRD1 P41143 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PLD2 O14939 1/20 0.38
PLD1 Q13393 1/20 0.38
ABCB1 P08183 1/20 0.38
RIPK1 Q13546 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL21264070 0.92 P2RY14 (0.57) P2RY14HPNMAP2K4DHODHPTGDR2
SCHEMBL21263958 0.87 P2RY14 (0.70) P2RY14HPNMAP2K4DHODHPTGDR2
SCHEMBL21264034 0.83 NOTUM (0.54) P2RY14HPNPTGDR2KDM4EALDH1A1
SCHEMBL22996152 0.83 RIPK1 (0.47) KDM4EALDH1A1LMNARIPK1
SCHEMBL21263915 0.82 CHEK2 (0.52) P2RY14MAP2K4CHEK2KDM4EALDH1A1
SCHEMBL2721413 0.81 HPN (0.50) P2RY14HPNPTGDR2KDM4EALDH1A1
SCHEMBL21264017 0.79 P2RY14 (0.70) P2RY14MAP2K4DHODHPTGDR2CHEK2
SCHEMBL31710883 0.77 PTGDR2 (0.48) P2RY14PTGDR2CHEK2KDM4EALDH1A1
SCHEMBL28481209 0.75 P2RY14 (0.45) P2RY14HPNPTGDR2KDM4EALDH1A1
SCHEMBL21248310 0.74 NOTUM (0.54) P2RY14PTGDR2KDM4EALDH1A1LMNA

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 5 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
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 P2RY14 1/4885HPN 2269/4885MAP2K4 4073/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 P2RY14 1/4885HPN 2269/4885MAP2K4 4073/4885

“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.