SCHEMBL21064314

SCHEMBL21064314

Cc1cc(NC(=O)c2cnc(C(F)(F)C(=O)N3CCC(O)CC3)s2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 12/20 0.42
▸ GRIN2B Q13224 1/20 0.39
▸ ABL1 P00519 3/20 0.38
▸ BCR P11274 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ KCNJ6 P48051 1/20 0.37
▸ KCNJ5 P48544 1/20 0.37
▸ KCNJ3 P48549 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ BACE2 Q9Y5Z0 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL29390006 1.00 PDE7A (0.42) PDE7AGRIN2BABL1BCREPHX2
SCHEMBL29388250 0.85 PDE7A (0.44) PDE7AEPHX2NPC1RAB9A
SCHEMBL21146531 0.85 PDE7A (0.44) PDE7AEPHX2NPC1RAB9A
SCHEMBL29391244 0.83 RAF1 (0.44) PDE7AKCNJ6KCNJ5KCNJ3BACE1
SCHEMBL21062742 0.83 RAF1 (0.44) PDE7AKCNJ6KCNJ5KCNJ3BACE1
SCHEMBL29390725 0.82 HTR2B (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL21145868 0.82 HTR2B (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL21146085 0.81 RAF1 (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL21146099 0.81 PTPN11 (0.42) BACE1BACE2NPC1RAB9ASMN1; SMN2
SCHEMBL21145814 0.79 ACKR3 (0.40) PDE7AGRIN2BKCNJ6KCNJ5KCNJ3

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
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 — — US disclosed
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 — — US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 — — US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 — — US disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 — — WO disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 — — 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-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP PDE7A 2706/4885GRIN2B 1492/4885ABL1 3486/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP PDE7A 2706/4885GRIN2B 1492/4885ABL1 3486/4885

“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.

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