SCHEMBL5923172

SCHEMBL5923172

COc1cc(OC)nc(NC(=N)Nc2cccc(OCc3ccccc3)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.50
▸ MAOB P27338 3/20 0.48
▸ PDK1 Q15118 1/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ PDK3 Q15120 1/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ PABPC1 P11940 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ CTSV O60911 1/20 0.43
▸ CTSL P07711 1/20 0.43

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
SCHEMBL5923220 0.94 MAPK1 (0.54) MAPK1MAOBPDK1PDK2PDK3
SCHEMBL5923453 0.86 MAPK1 (0.63) MAPK1MAOBPDK1PDK2PDK3
SCHEMBL5923099 0.85 MITF (0.47) MAPK1LMNAMEN1KMT2A
SCHEMBL4981980 0.84 NR1H4 (0.58) MAPK1MAOBPDK1PDK2PDK3
SCHEMBL5923340 0.84 MAPT (0.44) LMNAKMT2AUSP2
SCHEMBL5923319 0.82 MAPK1 (0.50) MAPK1MAOBPDK1PDK2PDK3
SCHEMBL5923526 0.81 MAPK1 (0.57) MAPK1MAOBPDK1PDK2PDK3
SCHEMBL5923256 0.81 MAPK1 (0.56) MAPK1PDK1PDK2PDK3PDK4
SCHEMBL5923213 0.80 VSIR (0.50) MEN1KMT2A
SCHEMBL4984259 0.80 MEN1 (0.61) PDK1PDK2PDK3PDK4LTA4H

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 2 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
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 2055/4885MAOB 358/4885PDK1 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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