SCHEMBL6457030

SCHEMBL6457030

O=C(O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccn2)n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MARS1 P56192 3/20 0.62
▸ RPA1 P27694 3/20 0.50
▸ PPP1CA P62136 1/20 0.49
▸ MDM2 Q00987 6/20 0.48
▸ MCL1 Q07820 5/20 0.48
▸ BCL2 P10415 4/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SLC16A3 O15427 1/20 0.44

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
SCHEMBL27714804 0.84 MARS1 (0.67) MARS1RPA1PPP1CAMDM2MCL1
SCHEMBL6453503 0.83 ALDH1A1 (0.53) MARS1MDM2MCL1BCL2ALDH1A1
SCHEMBL8591058 0.83 RPA1 (0.73) MARS1RPA1PPP1CAMDM2MCL1
SCHEMBL6454128 0.81 MARS1 (0.44) MARS1SMN1; SMN2SLC16A3
SCHEMBL6448871 0.78 NPSR1 (0.46) MARS1RPA1PPP1CAMDM2MCL1
SCHEMBL5517694 0.78 MARS1 (0.57) MARS1RPA1PPP1CAMDM2MCL1
SCHEMBL6454699 0.78 ALDH1A1 (0.55) MARS1ALDH1A1MEN1KMT2A
SCHEMBL117374 0.77 MARS1 (1.00) MARS1RPA1L3MBTL1
SCHEMBL27668789 0.77 MARS1 (0.53) MARS1RPA1PPP1CAMDM2L3MBTL1
SCHEMBL14995555 0.76 MARS1 (0.64) MARS1RPA1PPP1CAL3MBTL1ALDH1A1

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 — — US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 — — WO 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC MARS1 2921/4885RPA1 4472/4885PPP1CA 2347/4885

“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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