SCHEMBL21884424

SCHEMBL21884424

N#Cc1ccc(O)c(C(=O)NC2=NCCCN2)c1-c1cccc(F)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.32
ITGB1 P05556 4/20 0.32
ITGAV P06756 4/20 0.32
ITGA2B P08514 4/20 0.32
ITGB5 P18084 4/20 0.32
ALDH1A1 P00352 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
P2RX1 P51575 1/20 0.31
GRM4 Q14833 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
ALOX5 P09917 1/20 0.30
RORC P51449 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
SCHEMBL21884493 0.95 WDR5 (0.34) ALDH1A1JAK2JAK1TYK2P2RX1
SCHEMBL23875072 0.86 NISCH (0.38) ITGB3ITGAVITGA2BP2RX1PDCD1
SCHEMBL21884640 0.85 NISCH (0.35) JAK2JAK1TYK2ALOX5
SCHEMBL21884363 0.85 NISCH (0.41) GRM4
SCHEMBL21884636 0.84 NISCH (0.34) JAK2JAK1TYK2CD274ALOX5
SCHEMBL21884463 0.82 NISCH (0.38) PDCD1CD274
SCHEMBL24066340 0.82 NISCH (0.35) CD274
SCHEMBL21884353 0.82 GPR6 (0.32) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL21884366 0.81 JAK2 (0.35) JAK2CD274
SCHEMBL21884358 0.81 EPAS1 (0.38) ALDH1A1GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 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 (2 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 ITGB3 4264/4885ITGB1 4542/4885ITGAV 3704/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 ITGB3 3532/4885ITGB1 3676/4885ITGAV 3045/4885

“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.