SCHEMBL23949599

SCHEMBL23949599

Cn1nc(C(F)(F)F)cc1Oc1cc(C#N)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
TGFBR1 P36897 4/20 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
SCN9A Q15858 5/20 0.34
EPAS1 Q99814 2/20 0.34

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
SCHEMBL23949600 0.85 ADORA2A (0.45) KMT2AADORA2AADORA1TGFBR1KDM4E
SCHEMBL23949239 0.81 CYP19A1 (0.33) ADORA1LMNAPRKDC
SCHEMBL30353335 0.81 CYP19A1 (0.33) ADORA1LMNAPRKDC
SCHEMBL30353336 0.81 MERTK (0.39) KMT2AADORA2AADORA1ALDH1A1PRKDC
SCHEMBL28989766 0.81 MERTK (0.39) KMT2AADORA2AADORA1ALDH1A1PRKDC
SCHEMBL23949271 0.80 EIF4E (0.34)
SCHEMBL25058323 0.80 KMT2A (0.42) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL23949595 0.78 KMT2A (0.36) KMT2AADORA2AADORA1TGFBR1KDM4E
SCHEMBL5221402 0.78 KMT2A (0.47) KMT2AADORA2AADORA1TGFBR1KDM4E
SCHEMBL7077095 0.77 KMT2A (0.46) KMT2AADORA2AADORA1TGFBR1KDM4E

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 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.