SCHEMBL24090409

SCHEMBL24090409

CNc1ncc(-c2cc(C(F)(F)F)ccc2N2CCN(C(=O)Cn3cc(C)cc3C)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 0.44
GRIN1 Q05586 3/20 0.42
MC4R P32245 4/20 0.42
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK14 Q16539 1/20 0.41
TEK Q02763 1/20 0.39
KCNH2 Q12809 2/20 0.39
CYP2C9 P11712 1/20 0.39
CXCR3 P49682 1/20 0.37

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
SCHEMBL3741729 0.84 CXCR3 (0.56) GRIN2BGRIN1LCKKDRJAK3
SCHEMBL114749 0.81 CXCR3 (0.43) GRIN2BGRIN1MC4RLCKKDR
SCHEMBL3739949 0.74 CXCR3 (0.51) GRIN2BKCNH2CXCR3
SCHEMBL17854893 0.74 CXCR3 (0.61) KCNH2CXCR3
SCHEMBL3731238 0.73 CXCR3 (0.55) GRIN2BGRIN1MC4RKCNH2CXCR3
SCHEMBL3730330 0.73 CXCR3 (0.55) GRIN2BGRIN1MC4RKCNH2CXCR3
SCHEMBL22965168 0.73 CXCR3 (0.60) GRIN2BGRIN1KCNH2CXCR3
SCHEMBL3726532 0.73 CXCR3 (0.54) GRIN2BGRIN1MC4RKCNH2CXCR3
SCHEMBL3728657 0.72 CXCR3 (0.53) KCNH2CYP2C9CXCR3
SCHEMBL3735603 0.71 CXCR3 (0.59) KCNH2CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380672-A1 Treatment and Prevention of Cardiovascular Disease Edifice Health, Inc. (US) 2021-12-09 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-20210380672-A1 Treatment and Prevention of Cardiovascular Disease SERPINA6, FABP3, CXCL8 GRIN2B 4803/4885GRIN1 4805/4885MC4R 2627/4885

“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.