SCHEMBL27112822

SCHEMBL27112822

Cn1ncc2c3ccccc3n(C(=O)c3cccc(F)c3)c21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.46
KMT2A Q03164 2/20 0.45
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
PLA2G7 Q13093 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PARP1 P09874 1/20 0.39
P2RX4 Q99571 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 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
SCHEMBL21330598 0.86 P2RX4 (0.53) KMT2AMAPTKDM4ELMNAHTT
SCHEMBL24547656 0.83 ELANE (0.46) ELANEKMT2AMAPTKDM4ELMNA
SCHEMBL24547747 0.75 POLB (0.46) KMT2AMAPTKDM4ELMNAHTT
SCHEMBL20139098 0.73 LMNA (0.55) ELANEKMT2AMAPTKDM4ELMNA
SCHEMBL21330594 0.71 P2RX4 (0.54) ELANEKMT2AMAPTLMNAHTT
SCHEMBL24547737 0.69 LMNA (0.50) ELANEKMT2AMAPTKDM4ELMNA
SCHEMBL24547678 0.69 ELANE (0.42) ELANEKDM4ELMNAHTTMAPK1
SCHEMBL24547742 0.68 P2RX4 (0.56) ELANEKMT2AMAPTKDM4ELMNA
SCHEMBL24547736 0.68 ELANE (0.52) ELANEPARP1HPGDCES2CES1
SCHEMBL27921481 0.66 TRPV1 (0.41) MAPTALDH1A1

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-20240067654-A1 OXYTOCIN RECEPTOR MODULATORS Kinoxis Therapeutics Pty Ltd (AU) 2024-02-29 US disclosed
US-20240067654-A1 OXYTOCIN RECEPTOR MODULATORS Kinoxis Therapeutics Pty Ltd (AU) 2024-02-29 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-20240067654-A1 OXYTOCIN RECEPTOR MODULATORS OXTR, AVPR1B, AVPR1A ELANE 3651/4885KMT2A 4547/4885MAPT 380/4885

“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.