SCHEMBL3877942

SCHEMBL3877942

CC(C)(C)C(=O)Nc1nc(OC2CCCC2)nc2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HTR1F P30939 1/20 0.34
▸ AXL P30530 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ ACACB O00763 2/20 0.33
▸ TMIGD3 P0DMS9 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ GRM5 P41594 2/20 0.30
▸ USP2 O75604 1/20 0.30

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
SCHEMBL3889223 0.80 BRD4 (0.42) SMN1; SMN2NPC1RAB9AHTR1FADORA1
SCHEMBL159109 0.72 ADORA2A (0.40) AXLFLT3MERTKJAK3
SCHEMBL4152503 0.70 ADORA2A (0.43) AXLFLT3MERTKADORA1
SCHEMBL4152505 0.70 ADORA2A (0.43) AXLFLT3MERTKADORA1
SCHEMBL8884122 0.69 L3MBTL1 (0.38) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL29124868 0.68 SYK (0.38) MAPT
SCHEMBL29124874 0.66 SYK (0.39) JAK3
SCHEMBL16146366 0.65 CYP2D6 (0.39) NPC1RAB9AHTR1FABL1JAK3
SCHEMBL4144530 0.64 CDK1 (0.38) FLT3ADORA1ALDH1A1JAK3
SCHEMBL16573451 0.64 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AADORA1ALDH1A1

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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 — — US disclosed
US-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 — — US disclosed
US-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 — — US disclosed
EP-2010553-A1 SUBSTITUTED ADENINES AND THE USES THEREOF AstraZeneca AB (SE) 2009-01-07 — — EP disclosed
WO-2007113538-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2007-10-11 — — WO disclosed
WO-2007113538-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2007-10-11 — — 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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 SMN1; SMN2 3124/4885NPC1 2305/4885HTT 4273/4885

“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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