SCHEMBL13699074

SCHEMBL13699074

CC(C)COCc1ccc2nc(N)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.45
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ AAK1 Q2M2I8 3/20 0.37
▸ MTOR P42345 6/20 0.37
▸ LCK P06239 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ RICTOR Q6R327 3/20 0.33
▸ RPTOR Q8N122 3/20 0.33
▸ MAPKAP1 Q9BPZ7 3/20 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
SCHEMBL14292518 0.84 PIK3CG (0.49) PIK3CGNPC1RAB9ASMN1; SMN2USP2
SCHEMBL13486442 0.81 PIK3CG (0.51) PIK3CGNPC1RAB9ASMN1; SMN2USP2
SCHEMBL253529 0.76 PIK3CG (0.56) PIK3CGNPC1RAB9ASMN1; SMN2USP2
SCHEMBL9895355 0.75 PIK3CG (0.45) PIK3CGNPC1RAB9ASMN1; SMN2USP2
SCHEMBL9380420 0.72 PIK3CG (0.56) PIK3CGNPC1RAB9ASMN1; SMN2USP2
Hydrochloric Acid SCHEMBL9374890 0.71 PIK3CG (0.59) PIK3CGNPC1RAB9ASMN1; SMN2USP2
SCHEMBL28603278 0.70 PIK3CG (0.46) PIK3CGNPC1RAB9ASMN1; SMN2USP2
SCHEMBL12921179 0.69 PIK3CG (0.56) PIK3CGNPC1RAB9ASMN1; SMN2USP2
SCHEMBL13765046 0.69 MAPT (0.51) PIK3CGNPC1RAB9ASMN1; SMN2MTOR
SCHEMBL13486444 0.69 MAPT (0.51) PIK3CGNPC1RAB9ASMN1; SMN2AAK1

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-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 — — US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 — — US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 — — US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 — — 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 PIK3CG 1838/4885NPC1 53/4885RAB9A 1907/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 PIK3CG 1551/4885NPC1 91/4885RAB9A 3390/4885

“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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