SCHEMBL13625499

SCHEMBL13625499

CC(C)Cc1ccc(-c2ccncn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
XDH P47989 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
DHODH Q02127 1/20 0.39
GSK3B P49841 3/20 0.38
ROCK1 Q13464 2/20 0.38
MAPK1 P28482 2/20 0.38
ROCK2 O75116 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PRKCG P05129 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
GSK3A P49840 1/20 0.38
PRKX P51817 1/20 0.38

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
SCHEMBL13637172 0.80 CYP2D6 (0.60) CYP2D6MAPTGSK3BKDM4EMAP4K4
SCHEMBL9903935 0.79 CYP2D6 (0.60) CYP2D6MAPTGSK3BROCK1MAPK1
SCHEMBL12591976 0.77 S1PR1 (0.54) MAPTMEN1POLBKMT2AS1PR1
SCHEMBL10260862 0.77 CYP1A2 (0.50) CYP2D6XDHMEN1POLBKMT2A
SCHEMBL24791663 0.77 CYP2D6 (0.51) CYP2D6MAPTGSK3BMAPK9
SCHEMBL30872067 0.77 CYP2D6 (0.51) CYP2D6MAPTGSK3BMAPK9
SCHEMBL2559714 0.77 CYP2D6 (0.51) CYP2D6MAPTGSK3BPRKACACLK4
SCHEMBL6852363 0.77 CYP2D6 (0.51) CYP2D6MAPTGSK3BROCK1CYP3A4
SCHEMBL14087360 0.77 CYP2D6 (0.51) CYP2D6MAPTGSK3BROCK1MAPK1
SCHEMBL31140237 0.76 CYP2D6 (0.51) CYP2D6XDHMAPTMEN1POLB

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-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 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 (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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 CYP2D6 61/4885XDH 3375/4885MAPT 4008/4885

“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.