SCHEMBL23949600

SCHEMBL23949600

Cn1nc(C(F)(F)F)cc1Oc1cc(C#N)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
KMT2A Q03164 1/20 0.41
TGFBR1 P36897 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PRKDC P78527 1/20 0.35
CYP11B2 P19099 1/20 0.34
PDPK1 O15530 1/20 0.34
SCN9A Q15858 4/20 0.34
BACE2 Q9Y5Z0 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL23949599 0.85 KMT2A (0.41) ADORA2AADORA1KMT2ATGFBR1KDM4E
SCHEMBL28989766 0.81 MERTK (0.39) ADORA2AADORA1KMT2AALDH1A1PRKDC
SCHEMBL30353336 0.81 MERTK (0.39) ADORA2AADORA1KMT2AALDH1A1PRKDC
SCHEMBL23949595 0.80 KMT2A (0.36) ADORA2AADORA1KMT2ATGFBR1KDM4E
SCHEMBL8675020 0.80 ADORA2A (0.46) ADORA2AADORA1KMT2ATGFBR1KDM4E
SCHEMBL25058323 0.80 KMT2A (0.42) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL30353055 0.79 NSD2 (0.39) ADORA2AADORA1KMT2ATGFBR1KDM4E
SCHEMBL23949601 0.79 NSD2 (0.39) ADORA2AADORA1KMT2ATGFBR1KDM4E
SCHEMBL5221402 0.78 KMT2A (0.47) ADORA2AADORA1KMT2ATGFBR1KDM4E
SCHEMBL25418964 0.77 KMT2A (0.38) ADORA2AADORA1KMT2ATGFBR1KDM4E

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 4 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
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed
EP-4137481-A1 ARYL OR HETEROARYL DERIVATIVE Teijin Pharma Limited (JP) 2023-02-22 EP disclosed
WO-2021210650-A1 ARYL OR HETEROARYL DERIVATIVE 帝人ファーマ株式会社 2021-10-21 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 (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 ADORA2A 607/4885ADORA1 327/4885KMT2A 3894/4885

“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.