SCHEMBL9987772

SCHEMBL9987772

CC(=O)c1cc2cccnc2n1-c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.49
PDE4D Q08499 3/20 0.49
TRPV1 Q8NER1 1/20 0.48
KMT2A Q03164 1/20 0.45

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
SCHEMBL9986954 0.83 TRPV1 (0.50) PDE4BPDE4DTRPV1KMT2A
SCHEMBL9987237 0.79 ALDH1A1 (0.55)
SCHEMBL10674017 0.78 KMT2A (0.49) PDE4BPDE4DTRPV1KMT2A
Hydrochloric Acid SCHEMBL27732942 0.78 TRPV1 (0.46) PDE4BPDE4DTRPV1KMT2A
SCHEMBL9987982 0.76 PDE4B (0.46) PDE4BPDE4D
SCHEMBL27732903 0.75 TRPV1 (0.43) PDE4BPDE4DTRPV1KMT2A
SCHEMBL9986022 0.74 KMT2A (0.42) PDE4BPDE4DTRPV1KMT2A
SCHEMBL31092822 0.74 PDE4B (0.48) PDE4BPDE4DTRPV1
SCHEMBL9987983 0.74 PDE4B (0.48) PDE4BPDE4DTRPV1
SCHEMBL9986633 0.73 PDE4B (0.41) PDE4BPDE4DTRPV1KMT2A

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-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 US disclosed
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 US disclosed
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
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
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 US 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 PDE4B 2790/4885PDE4D 2869/4885TRPV1 3411/4885

“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.