SCHEMBL10100319

SCHEMBL10100319

CC(C)(C)c1noc(Cc2ccc(F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.38
▸ SMN1; SMN2 Q16637 7/20 0.38
▸ RAB9A P51151 6/20 0.38
▸ HTT P42858 2/20 0.38
▸ L3MBTL1 Q9Y468 5/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ S1PR1 P21453 2/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL14140248 0.78 SMN1; SMN2 (0.46) NPC1SMN1; SMN2RAB9AHTTL3MBTL1
SCHEMBL13247791 0.77 L3MBTL1 (0.45) NPC1SMN1; SMN2RAB9AHTTL3MBTL1
SCHEMBL12188234 0.75 L3MBTL1 (0.46) NPC1SMN1; SMN2RAB9AHTTL3MBTL1
SCHEMBL2733187 0.75 LMNA (0.56) SMN1; SMN2RAB9AHTTL3MBTL1MAPK1
SCHEMBL823599 0.74 NPSR1 (0.41) NPC1SMN1; SMN2RAB9AHTTL3MBTL1
SCHEMBL2731993 0.71 NPC1 (0.45) NPC1SMN1; SMN2RAB9AHTTL3MBTL1
SCHEMBL15945546 0.69 NPC1 (0.45) NPC1SMN1; SMN2RAB9AHTTCNR1
SCHEMBL8738333 0.69 PIK3CG (0.36) NPC1SMN1; SMN2RAB9AHTTALDH1A1
SCHEMBL24264721 0.69 KMT2A (0.48) NPC1SMN1; SMN2RAB9AHTTL3MBTL1
SCHEMBL21889211 0.68 SMN1; SMN2 (0.34) NPC1SMN1; SMN2RAB9AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 — — US disclosed
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 — — US disclosed
US-8207334-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-06-26 — — US disclosed
US-8207334-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-06-26 — — US disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 — — US disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 — — 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-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD NPC1 742/4885SMN1; SMN2 1064/4885RAB9A 2559/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD NPC1 742/4885SMN1; SMN2 1064/4885RAB9A 2559/4885

“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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