SCHEMBL5923599

SCHEMBL5923599

Cc1cc(C)nc(NC(=N)Nc2cccc(Cc3ccccc3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SIRT2 Q8IXJ6 2/20 0.44
▸ LMNA P02545 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 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
SCHEMBL5923031 0.90 HTT (0.54) ALDH1A1RAB9ASIRT2LMNAMAPT
SCHEMBL5923123 0.89 RAB9A (0.51) ALDH1A1RAB9ASIRT2LMNAMAPT
SCHEMBL5923080 0.88 RAB9A (0.48) ALDH1A1RAB9ASIRT2LMNAMAPT
SCHEMBL14861785 0.86 GAA (0.46) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL5923353 0.84 SMN1; SMN2 (0.48) ALDH1A1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL5923236 0.84 SMN1; SMN2 (0.50) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL5923340 0.84 MAPT (0.44) RAB9ALMNAMAPTSMN1; SMN2HTT
SCHEMBL5923351 0.83 RAB9A (0.50) ALDH1A1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL5923163 0.82 RAB9A (0.52) ALDH1A1RAB9ASIRT2LMNAMAPT
SCHEMBL5923263 0.82 SAE1 (0.56) ALDH1A1RAB9ALMNAMAPTSMN1; SMN2

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 ALDH1A1 535/4885RAB9A 410/4885SIRT2 1645/4885

“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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