SCHEMBL9986971

SCHEMBL9986971

CC(NC(=O)O)c1cc2ccccc2n1-c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
PLA2G10 O15496 7/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MTOR P42345 1/20 0.41
PIK3CD O00329 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3R1 P27986 1/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
PTGS2 P35354 1/20 0.38
PIK3R2 O00459 1/20 0.38
F10 P00742 1/20 0.38
KMT2A Q03164 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
SCHEMBL12035252 0.86 CTSS (0.42) NOTUMPLA2G10ALDH1A1TSHRMTOR
SCHEMBL9987033 0.82 NOTUM (0.42) NOTUMPLA2G10ALDH1A1TSHRF10
SCHEMBL9987982 0.81 PDE4B (0.46) NOTUMALDH1A1PIK3CDPIK3CGPIK3R1
SCHEMBL20703991 0.80 PIK3CD (0.56) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL20703992 0.80 PIK3CD (0.56) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL9986428 0.79 PLA2G10 (0.40) NOTUMPLA2G10ALDH1A1TSHRPIK3CD
SCHEMBL9987350 0.77 NOTUM (0.42) NOTUMALDH1A1MTORPIK3CDHPGD
SCHEMBL9987443 0.77 NOTUM (0.42) NOTUMALDH1A1MTORPIK3CDHPGD
SCHEMBL9987078 0.77 NOTUM (0.39) NOTUMPLA2G10ALDH1A1TSHRHPGD
SCHEMBL9987150 0.75 NOTUM (0.36) NOTUMPLA2G10ALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 US disclosed
WO-2011163195-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-12-29 WO disclosed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 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-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS PIK3R5, PIK3R4, PIK3CA NOTUM 3369/4885PLA2G10 1465/4885ALDH1A1 3993/4885

“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.