SCHEMBL1325441

SCHEMBL1325441

CC(N)c1cc(F)c2cncn2c1-c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.40
IDO1 P14902 2/20 0.37
TDO2 P48775 1/20 0.37
GRIN2B Q13224 1/20 0.34
CYP11B2 P19099 2/20 0.33
SRC P12931 2/20 0.33
CYP11B1 P15538 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PGR P06401 1/20 0.32
PTGS2 P35354 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL1324598 0.88 LCK (0.38) LCKIDO1TDO2GRIN2BCYP11B2
SCHEMBL1324582 0.76 CYP11B1 (0.37) LCKIDO1TDO2GRIN2BCYP11B2
SCHEMBL1325748 0.75 DCLRE1B (0.41) LCKIDO1TDO2SRC
SCHEMBL18817331 0.73 LCK (0.38) LCKSRCBRD9
SCHEMBL1325329 0.73 RPS6KB1 (0.43) LCKGRIN2BBRD9
SCHEMBL18817126 0.71 MAOA (0.36) LCKCYP11B2SRCCYP11B1BRD9
SCHEMBL18817292 0.70 DHFR (0.34) GRIN2BPGRPTGS2
SCHEMBL1325392 0.69 GRIA1 (0.36) PTGS2
SCHEMBL16038490 0.68 PDE4B (0.35) IDO1TDO2CYP11B2CYP11B1
SCHEMBL18817209 0.68 PTGS2 (0.36) GRIN2BPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193721-B2 Fused derivatives as PI3Kδ inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-11-24 US disclosed
US-9193721-B2 Fused derivatives as PI3Kδ inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-11-24 US disclosed
US-9193721-B2 Fused derivatives as PI3Kδ inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-11-24 US disclosed
EP-2558463-A1 FUSED DERIVATIVES AS I3 INHIBITORS Incyte Corporation (US) 2013-02-20 EP disclosed
US-20110281884-A1 FUSED DERIVATIVES AS PI3KDELTA INHIBITORS INCYTE CORPORATION 2011-11-17 US disclosed
US-20110281884-A1 FUSED DERIVATIVES AS PI3KDELTA INHIBITORS INCYTE CORPORATION 2011-11-17 US disclosed
WO-2011130342-A1 FUSED DERIVATIVES AS ΡI3Κδ INHIBITORS INCYTE CORPORATION (US) 2011-10-20 WO disclosed
WO-2011130342-A1 FUSED DERIVATIVES AS ΡI3Κδ INHIBITORS INCYTE CORPORATION (US) 2011-10-20 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-20110281884-A1 FUSED DERIVATIVES AS PI3KDELTA INHIBITORS PIK3CD, PIK3CA, PIK3CB LCK 215/4885IDO1 2480/4885TDO2 4522/4885

“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.