SCHEMBL9987443

SCHEMBL9987443

CC(NC(=O)O)c1c(Br)c2ccccc2n1-c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
MTOR P42345 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
PTGER4 P35408 1/20 0.38
PLK1 P53350 1/20 0.37
PLA2G2A P14555 1/20 0.37
THRB P10828 1/20 0.36
PTGS2 P35354 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
REN P00797 1/20 0.35
PIK3CD O00329 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35

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
SCHEMBL9987350 0.87 NOTUM (0.42) NOTUMMTORPOLBALDH1A1HPGD
SCHEMBL12035266 0.86 CTSS (0.38) NOTUMPOLBALDH1A1HPGDL3MBTL1
SCHEMBL9986663 0.80 VCP (0.36) NOTUMKDM4EPLK1L3MBTL1REN
SCHEMBL9986971 0.77 NOTUM (0.45) NOTUMMTORPOLBALDH1A1HPGD
SCHEMBL9987594 0.75 KMT2A (0.45) NOTUMALDH1A1PLK1L3MBTL1LMNA
Trifluoroacetic Acid SCHEMBL9986345 0.74 PIK3CD (0.46) PIK3CD
SCHEMBL12035254 0.73 CTSS (0.38) NOTUMPOLBALDH1A1HPGDLMNA
SCHEMBL12074545 0.72 PIK3CD (0.41) PLK1PIK3CD
SCHEMBL9999343 0.72 KMT2A (0.42) NOTUMMTORALDH1A1L3MBTL1LMNA
SCHEMBL9998908 0.72 PIK3CD (0.47) PIK3CD

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 3369/4885MTOR 29/4885POLB 765/4885

“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.