SCHEMBL5923078

SCHEMBL5923078

Cc1cc(C)nc(NC(=N)Nc2cc(Br)cc3cc[nH]c23)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ GRM5 P41594 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ GAA P10253 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL18661406 0.73 ROCK2 (0.46) MAPTGRM5ALDH1A1RAB9ANPC1
SCHEMBL31607389 0.73 ROCK2 (0.46) MAPTGRM5ALDH1A1RAB9ANPC1
SCHEMBL5923509 0.71 GAA (0.49) MAPTKMT2AMEN1GAATP53
SCHEMBL31607337 0.69 JAK3 (0.37) GRM5
SCHEMBL10850245 0.68 MAPT (0.47) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL5923186 0.68 RXFP1 (0.49) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL14862600 0.66 HDAC1 (0.53) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5923511 0.66 SMN1; SMN2 (0.53) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL15732787 0.66 PIM1 (0.47) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL5923368 0.65 CRHBP (0.50) MAPTALDH1A1KMT2AMEN1GAA

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 MAPT 2982/4885GRM5 3521/4885ALDH1A1 535/4885

“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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