SCHEMBL22965168

SCHEMBL22965168

CNc1ncc(-c2cc(F)ccc2N2CCN(C(=O)Cn3nc(C)cc3C)CC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 5/20 0.60
KCNH2 Q12809 1/20 0.60
GRIN2B Q13224 6/20 0.41
GFER P55789 1/20 0.40
EIF2AK3 Q9NZJ5 2/20 0.39
CYP3A4 P08684 1/20 0.39
EIF2AK2 P19525 1/20 0.39
EIF2AK1 Q9BQI3 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CCR1 P32246 1/20 0.38
POLB P06746 1/20 0.38
GRIN1 Q05586 1/20 0.38

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
SCHEMBL17854893 0.92 CXCR3 (0.61) CXCR3KCNH2ALDH1A1
SCHEMBL3735603 0.90 CXCR3 (0.59) CXCR3KCNH2ALDH1A1POLB
SCHEMBL3741729 0.89 CXCR3 (0.56) CXCR3KCNH2GRIN2BCCR1POLB
SCHEMBL168793 0.89 CXCR3 (0.60) CXCR3KCNH2GRIN2BGFEREIF2AK3
SCHEMBL3736608 0.89 CXCR3 (0.76) CXCR3KCNH2ALDH1A1POLB
SCHEMBL3742956 0.88 CXCR3 (0.59) CXCR3KCNH2GRIN2BEIF2AK3CYP3A4
SCHEMBL115730 0.88 CXCR3 (0.56) CXCR3KCNH2EIF2AK3ALDH1A1CCR1
SCHEMBL168743 0.87 CXCR3 (0.58) CXCR3KCNH2GRIN2BGFEREIF2AK3
SCHEMBL178025 0.87 CXCR3 (0.58) CXCR3KCNH2GRIN2BGFEREIF2AK3
SCHEMBL3728380 0.86 CXCR3 (0.56) CXCR3KCNH2GRIN2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11359011-B2 Treatment and prevention of cardiovascular disease Edifice Health, Inc. (US) 2022-06-14 US disclosed
US-20210040195-A1 Treatment and Prevention of Cardiovascular Disease Edifice Health, Inc. (US) 2021-02-11 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 (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-20210040195-A1 Treatment and Prevention of Cardiovascular Disease SERPINA6, FABP3, CXCL8 CXCR3 835/4885KCNH2 3076/4885GRIN2B 4803/4885
US-11359011-B2 Treatment and prevention of cardiovascular disease SERPINA6, FABP3, CXCL8 CXCR3 835/4885KCNH2 3076/4885GRIN2B 4803/4885

“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.