SCHEMBL9999343

SCHEMBL9999343

CC(NC(=O)O)c1c(Cl)c2cccnc2n1-c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE4A P27815 3/20 0.39
KCNH2 Q12809 3/20 0.39
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
REN P00797 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPY5R Q15761 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL9987594 0.91 KMT2A (0.45) KMT2APDE4BPDE4DPDE4AKCNH2
SCHEMBL12035285 0.87 KMT2A (0.39) KMT2APDE4BPDE4DPDE4AKCNH2
SCHEMBL9987350 0.83 NOTUM (0.42) NOTUMALDH1A1LMNARENMTOR
SCHEMBL9987465 0.82 KMT2A (0.45) KMT2APDE4BPDE4DPDE4AALDH1A1
SCHEMBL9987301 0.81 KMT2A (0.40) KMT2APDE4BPDE4DPDE4ANOTUM
SCHEMBL9987982 0.79 PDE4B (0.46) PDE4BPDE4DNOTUMALDH1A1MAPT
SCHEMBL12035341 0.77 KMT2A (0.40) KMT2APDE4BPDE4DPDE4AKCNH2
Trifluoroacetic Acid SCHEMBL9999316 0.77 PIK3CD (0.43)
Trifluoroacetic Acid SCHEMBL9999352 0.77 PIK3CD (0.43)
SCHEMBL27732894 0.74 KMT2A (0.49) KMT2APDE4BPDE4DNOTUMALDH1A1

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 2 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-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 KMT2A 1776/4885PDE4B 2790/4885PDE4D 2869/4885

“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.