SCHEMBL5923052

SCHEMBL5923052

Cc1cc(C)nc(NC(=N)NCc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALPL P05186 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ PLAA Q9Y263 1/20 0.40
▸ USP1 O94782 1/20 0.40
▸ WDR48 Q8TAF3 1/20 0.40
▸ GALR3 O60755 1/20 0.40

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
SCHEMBL5923306 0.92 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1RAB9AGAA
SCHEMBL5923585 0.90 AOC3 (0.46) VCPALDH1A1KMT2AMEN1RAB9A
SCHEMBL5923663 0.89 HTT (0.58) VCPALDH1A1KMT2AMEN1RAB9A
SCHEMBL5923520 0.86 NPSR1 (0.42) VCPALDH1A1KMT2AMEN1RAB9A
SCHEMBL5923425 0.83 CTNNB1 (0.43) ALDH1A1KMT2AMEN1RAB9ALMNA
SCHEMBL5923352 0.83 HTT (0.47) ALDH1A1KMT2ARAB9ALMNAMAPT
SCHEMBL5923152 0.83 PHGDH (0.46) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL5923053 0.81 EPHX2 (0.44) KMT2AMEN1SMN1; SMN2HTTALPL
SCHEMBL5922959 0.80 RAB9A (0.55) ALDH1A1KMT2AMEN1RAB9AGAA
SCHEMBL5923434 0.80 KMT2A (0.61) ALDH1A1KMT2AMEN1RAB9ALMNA

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 VCP 2233/4885ALDH1A1 535/4885KMT2A 3042/4885

“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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