SCHEMBL10076613

SCHEMBL10076613

Cc1ccc2c(O)nc(C(C)(C)C)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NQO2 P16083 1/20 0.36
CYP1A2 P05177 1/20 0.36
DHODH Q02127 1/20 0.36
ACHE P22303 4/20 0.36
BCHE P06276 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
PLA2G1B P04054 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL1692503 0.81 MPO (0.40) ALDH1A1CYP1A2ACHEHRH4
SCHEMBL29892219 0.78 CYP1A2 (0.41) GRM2ALDH1A1MAPTLMNAKDM4E
SCHEMBL17250761 0.77 ALDH1A1 (0.49) ALDH1A1MAPTLMNAPLA2G1BL3MBTL1
SCHEMBL164991 0.76 GRM2 (0.41) GRM2ALDH1A1MAPTLMNAKDM4E
SCHEMBL27846129 0.76 GRM2 (0.43) GRM2ALDH1A1MAPTLMNAKDM4E
SCHEMBL13975885 0.75 HRH4 (0.51) GRM2ALDH1A1MAPTLMNAKDM4E
SCHEMBL20793006 0.74 NQO2 (0.41) GRM2ALDH1A1MAPTLMNAKDM4E
SCHEMBL6593684 0.74 CYP1A2 (0.50) GRM2ALDH1A1MAPTLMNAKDM4E
SCHEMBL161614 0.72 GRM2 (0.36) GRM2ALDH1A1MAPTLMNAKDM4E
SCHEMBL15978468 0.71 TRPA1 (0.41) GRM2ALDH1A1MAPTLMNAKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8734777-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2014-05-27 US disclosed
US-20130209397-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2013-08-15 US disclosed
US-8329712-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-20120009144-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2012-01-12 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 (2 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-20130209397-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, MAVS GRM2 4819/4885ALDH1A1 540/4885MAPT 4663/4885
US-20120009144-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RNASE1 GRM2 4806/4885ALDH1A1 466/4885MAPT 4660/4885

“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.