SCHEMBL5923408

SCHEMBL5923408

Cc1cc(C)nc(NC(=N)Nc2cccc(OCCc3ccccc3)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.50
▸ SIRT2 Q8IXJ6 5/20 0.46
▸ NR1H4 Q96RI1 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ GRK2 P25098 1/20 0.42
▸ F9 P00740 1/20 0.40
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL5923453 0.89 MAPK1 (0.63) MAPK1SIRT2NR1H4ALDH1A1RAB9A
SCHEMBL5923256 0.83 MAPK1 (0.56) MAPK1SIRT2NR1H4RAB9ANPC1
SCHEMBL5923055 0.82 RAB9A (0.49) MAPK1SIRT2ALDH1A1RAB9ANPC1
SCHEMBL5923220 0.81 MAPK1 (0.54) MAPK1SIRT2NR1H4ALDH1A1RAB9A
SCHEMBL5923599 0.80 ALDH1A1 (0.49) MAPK1SIRT2ALDH1A1RAB9ANPC1
SCHEMBL5923526 0.79 MAPK1 (0.57) MAPK1SIRT2NR1H4RAB9ANPC1
SCHEMBL6517622 0.78 MAPK1 (0.80) MAPK1SIRT2ALDH1A1RAB9A
SCHEMBL5923121 0.78 MAPK1 (0.48) MAPK1SIRT2F9
SCHEMBL14861785 0.77 GAA (0.46) MAPK1ALDH1A1RAB9ANPC1
SCHEMBL5923163 0.76 RAB9A (0.52) SIRT2ALDH1A1RAB9ANPC1

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 MAPK1 2055/4885SIRT2 1645/4885NR1H4 443/4885

“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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