SCHEMBL5923053

SCHEMBL5923053

Cc1cc(C)nc(NC(=N)NCc2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.44
▸ NR1H4 Q96RI1 6/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALPL P05186 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ PLAA Q9Y263 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ MET P08581 1/20 0.40

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
SCHEMBL5923544 0.83 PHGDH (0.51) EPHX2NR1H4
SCHEMBL5923306 0.83 ALDH1A1 (0.48) MEN1CYP1A2CYP2C19KMT2AHTT
SCHEMBL5923052 0.81 VCP (0.46) MEN1KMT2AALPLALPGPLAA
SCHEMBL5923531 0.80 LMNA (0.43) EPHX2NR1H4MEN1KMT2AHTT
SCHEMBL5923128 0.80 RAB9A (0.44) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL5923073 0.80 RAB9A (0.48) MEN1KMT2AALPLALPGPLAA
SCHEMBL5923365 0.79 RAB9A (0.44) EPHX2NR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL17975327 0.75 KDM4E (0.52) MEN1KMT2AHTTSMN1; SMN2
SCHEMBL4989466 0.74 RAB9A (0.54) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL5923585 0.74 AOC3 (0.46) MEN1KMT2A

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 3096/4885NR1H4 443/4885HDAC3 126/4885

“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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