SCHEMBL5923323

SCHEMBL5923323

Cc1nc(NC(=N)NCCc2ccc(Oc3ccccc3)cc2)nc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.43
▸ ACHE P22303 7/20 0.41
▸ BCHE P06276 6/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ PLAAT3 P53816 2/20 0.39
▸ PLAAT5 Q96KN8 2/20 0.39
▸ PLAAT2 Q9NWW9 2/20 0.39
▸ PLAAT4 Q9UL19 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LTA4H P09960 2/20 0.38
▸ APP P05067 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ POLB P06746 1/20 0.36

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
SCHEMBL5923285 0.81 EPHX2 (0.46) EPHX2ACHEPLAAT3PLAAT5PLAAT2
SCHEMBL5923376 0.81 EPHX2 (0.49) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923243 0.80 MAPT (0.43) ACHEBCHEPARP1SMN1; SMN2NPC1
SCHEMBL6514076 0.79 ADORA2A (0.52) ACHEBCHESMN1; SMN2NPC1RAB9A
SCHEMBL5923387 0.78 ACHE (0.49) ACHEBCHESMN1; SMN2NPC1RAB9A
SCHEMBL5923374 0.77 EPHX2 (0.45) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923299 0.76 EPHX2 (0.46) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923119 0.76 HTT (0.48) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923412 0.75 BCHE (0.42) ACHEBCHESMN1; SMN2RAB9AL3MBTL1
SCHEMBL5923235 0.75 KDM4E (0.39) ACHEBCHESMN1; SMN2NPC1RAB9A

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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — US claimed
WO-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 — — WO claimed
US-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — 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 (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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication PIGS, GUCY1A1, GUCY1B1 EPHX2 3096/4885ACHE 2488/4885BCHE 3166/4885

“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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