SCHEMBL5923073

SCHEMBL5923073

CCCCc1ccc(CNC(=N)Nc2nc(C)cc(C)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ LMNA P02545 6/20 0.41
▸ HTT P42858 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ ALPL P05186 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ PLAA Q9Y263 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL5923652 0.90 HTT (0.48) RAB9AMAPK1LMNAHTTGAA
SCHEMBL5923398 0.86 RAB9A (0.40) RAB9AMAPK1LMNAHTTGAA
SCHEMBL5923309 0.84 LMNA (0.46) MAPK1LMNAHTTGAAALDH1A1
SCHEMBL5923669 0.84 MAPK1 (0.43) RAB9AMAPK1LMNAHTTGAA
SCHEMBL5923306 0.82 ALDH1A1 (0.48) RAB9AMAPK1LMNAHTTGAA
SCHEMBL5923584 0.82 RAB9A (0.54) RAB9AMAPK1MEN1KMT2ANPC1
SCHEMBL5923401 0.81 CASP6 (0.43) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL5923052 0.80 VCP (0.46) RAB9ALMNAHTTGAAALDH1A1
SCHEMBL5923053 0.80 EPHX2 (0.44) HTTSMN1; SMN2ALPLALPGPLAA
SCHEMBL5923586 0.80 LMNA (0.46) RAB9AMAPK1LMNAHTTGAA

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 RAB9A 410/4885MAPK1 2055/4885LMNA 620/4885

“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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