SCHEMBL9987237

SCHEMBL9987237

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
PLA2G10 O15496 9/20 0.52
NOTUM Q6P988 1/20 0.45
F10 P00742 3/20 0.44
MCL1 Q07820 1/20 0.42
DAO P14920 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 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
SCHEMBL9986981 0.81 ALDH1A1 (0.47) ALDH1A1TSHRPLA2G10NOTUMF10
SCHEMBL9986521 0.80 NOTUM (0.42) PLA2G10NOTUM
SCHEMBL9987772 0.79 PDE4B (0.49)
SCHEMBL9987033 0.74 NOTUM (0.42) ALDH1A1TSHRPLA2G10NOTUMF10
SCHEMBL9986971 0.74 NOTUM (0.45) ALDH1A1TSHRPLA2G10NOTUMF10
SCHEMBL9987074 0.72 NOTUM (0.46) TSHRNOTUM
SCHEMBL9149430 0.72 ALDH1A1 (0.79) ALDH1A1TSHRPLA2G10NOTUMMCL1
SCHEMBL28393384 0.72 ALDH1A1 (0.69) ALDH1A1TSHRPLA2G10F10MCL1
SCHEMBL5208338 0.72 ALDH1A1 (1.00) ALDH1A1TSHRPLA2G10MCL1DAO
SCHEMBL30194196 0.72 ALDH1A1 (1.00) ALDH1A1TSHRPLA2G10MCL1DAO

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 ALDH1A1 3993/4885TSHR 1960/4885PLA2G10 1465/4885

“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.