SCHEMBL25058321

SCHEMBL25058321

Cn1nc(C(F)(F)F)cc1Oc1cc(C#N)ccc1-c1ncc([C@@H](F)CN)cn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 1/20 0.34
PRKDC P78527 1/20 0.34
NSD2 O96028 1/20 0.32
TGFBR1 P36897 2/20 0.32
CYP11B2 P19099 1/20 0.31
SCN9A Q15858 7/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL25555364 1.00 KMT2A (0.37) KMT2AADORA2AADORA1ALDH1A1PRKDC
SCHEMBL25561743 1.00 KMT2A (0.37) KMT2AADORA2AADORA1ALDH1A1PRKDC
SCHEMBL30353055 0.87 NSD2 (0.39) KMT2AADORA2AADORA1ALDH1A1PRKDC
SCHEMBL23949601 0.87 NSD2 (0.39) KMT2AADORA2AADORA1ALDH1A1PRKDC
SCHEMBL25561754 0.85 HRH4 (0.30) HRH4
SCHEMBL30257107 0.85 HRH4 (0.30) HRH4
SCHEMBL25555368 0.85 HRH4 (0.30) HRH4
SCHEMBL25561765 0.85 HRH4 (0.30) HRH4
SCHEMBL30353123 0.85 KMT2A (0.38) KMT2AADORA2AADORA1ALDH1A1PRKDC
SCHEMBL25418964 0.85 KMT2A (0.38) KMT2AADORA2AADORA1ALDH1A1PRKDC

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-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2023-06-01 US disclosed
EP-4137481-A1 ARYL OR HETEROARYL DERIVATIVE Teijin Pharma Limited (JP) 2023-02-22 EP 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-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE ARRB1, NR3C2, TRPC6 KMT2A 3894/4885ADORA2A 607/4885ADORA1 327/4885

“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.