SCHEMBL23949601

SCHEMBL23949601

Cn1nc(C(F)(F)F)cc1Oc1cc(C#N)ccc1-c1ncc(CN)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 6/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 1/20 0.36
PRKDC P78527 1/20 0.36
SCN9A Q15858 3/20 0.33
TGFBR1 P36897 2/20 0.33
CYP11B2 P19099 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL30353055 1.00 NSD2 (0.39) NSD2KMT2AADORA2AADORA1ALDH1A1
SCHEMBL30353123 0.92 KMT2A (0.38) NSD2KMT2AADORA2AADORA1ALDH1A1
SCHEMBL25418964 0.92 KMT2A (0.38) NSD2KMT2AADORA2AADORA1ALDH1A1
SCHEMBL25568231 0.92 NSD2 (0.36) NSD2KMT2AADORA2AADORA1PRKDC
SCHEMBL25555223 0.90 NSD2 (0.40) NSD2KMT2AADORA2AADORA1ALDH1A1
SCHEMBL30353066 0.90 NSD2 (0.40) NSD2KMT2AADORA2AADORA1ALDH1A1
SCHEMBL25058323 0.88 KMT2A (0.42) KMT2AADORA2AADORA1ALDH1A1PRKDC
SCHEMBL23949240 0.87 NSD2 (0.38) NSD2PRKDCSCN9ACYP11B2CYP19A1
SCHEMBL25058321 0.87 KMT2A (0.37) NSD2KMT2AADORA2AADORA1ALDH1A1
SCHEMBL25555364 0.87 KMT2A (0.37) NSD2KMT2AADORA2AADORA1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN claimed
US-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2023-06-01 US disclosed
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 NSD2 3265/4885KMT2A 3894/4885ADORA2A 607/4885

“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.