SCHEMBL5353111

SCHEMBL5353111

Cc1nn(C(C)C)c2nc(C#N)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.39
PIK3CD O00329 2/20 0.39
ABL1 P00519 2/20 0.39
EGFR P00533 2/20 0.39
HCK P08631 2/20 0.39
SRC P12931 2/20 0.39
KDR P35968 2/20 0.39
PIK3CA P42336 2/20 0.39
EPHB4 P54760 2/20 0.39
PRKDC P78527 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
PIK3CB P42338 1/20 0.39
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
EGLN2 Q96KS0 4/20 0.32
CTSB P07858 2/20 0.32
EED O75530 1/20 0.32
RBBP4 Q09028 1/20 0.32

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
SCHEMBL3600918 0.81 SRC (0.37) MTORPIK3CDABL1EGFRHCK
SCHEMBL20116584 0.80 ADORA2A (0.37) CYP11B1CYP11B2DDB1CRBNEGLN2
SCHEMBL30506305 0.80 ADORA2A (0.37) CYP11B1CYP11B2DDB1CRBNEGLN2
SCHEMBL31469631 0.76 ABL1 (0.36) MTORPIK3CDABL1EGFRHCK
SCHEMBL31469677 0.76 NOS3 (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL5322679 0.76 PDE1A (0.33) PDE1APDE1BPDE1CMERTKKDM4E
SCHEMBL24287321 0.74 FPR1 (0.38) PDE1APDE1BPDE1CMERTKKDM4E
SCHEMBL19779444 0.74 DDB1 (0.32) CYP11B1CYP11B2DDB1CRBNEGLN2
SCHEMBL5360329 0.71 KDM4E (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL5357228 0.69 NT5E (0.34) PDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007123953-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-11-01 WO disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 MTOR 4066/4885PIK3CD 1375/4885ABL1 2770/4885

“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.