SCHEMBL5923453

SCHEMBL5923453

Cc1cc(C)nc(NC(=N)Nc2cccc(OCc3ccccc3)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.63
▸ SIRT2 Q8IXJ6 2/20 0.55
▸ PDK1 Q15118 1/20 0.49
▸ PDK2 Q15119 1/20 0.49
▸ PDK3 Q15120 1/20 0.49
▸ PDK4 Q16654 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ MAOB P27338 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CTSV O60911 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ GBA1 P04062 1/20 0.44

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
SCHEMBL5923256 0.93 MAPK1 (0.56) MAPK1SIRT2PDK1PDK2PDK3
SCHEMBL5923220 0.92 MAPK1 (0.54) MAPK1SIRT2PDK1PDK2PDK3
SCHEMBL5923526 0.90 MAPK1 (0.57) MAPK1SIRT2PDK1PDK2PDK3
SCHEMBL5923408 0.89 MAPK1 (0.50) MAPK1SIRT2RAB9ANR1H4ALDH1A1
SCHEMBL5923172 0.86 MAPK1 (0.50) MAPK1PDK1PDK2PDK3PDK4
SCHEMBL4981980 0.86 NR1H4 (0.58) MAPK1SIRT2PDK1PDK2PDK3
SCHEMBL5923121 0.86 MAPK1 (0.48) MAPK1SIRT2MAOB
SCHEMBL5923319 0.86 MAPK1 (0.50) MAPK1SIRT2PDK1PDK2PDK3
SCHEMBL5923357 0.85 MAPK1 (0.57) MAPK1SIRT2PDK1PDK2PDK3
SCHEMBL5923022 0.85 GBA1 (0.59) MAPK1SIRT2PDK1PDK2PDK3

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 1 patent. 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 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 1645/4885PDK1 2356/4885

“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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