SCHEMBL2012014

SCHEMBL2012014

COC(=O)c1cc(Br)c2cccnc2c1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
PSMD14 O00487 1/20 0.41
MAP2K1 Q02750 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GSK3B P49841 2/20 0.40
RPS6KB1 P23443 2/20 0.40
CSNK1D P48730 1/20 0.40
GSK3A P49840 1/20 0.40
DYRK1A Q13627 1/20 0.40
NTRK2 Q16620 1/20 0.40
AURKB Q96GD4 1/20 0.40
TOP2A P11388 1/20 0.40
CDC7 O00311 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39

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
SCHEMBL2011974 0.84 KDM4E (0.46) KDM4EPSMD14MAP2K1GSK3BRPS6KB1
SCHEMBL2014978 0.77 KDM4E (0.46) KDM4EMEN1KMT2APOLBNPSR1
SCHEMBL21902359 0.77 KDM4E (0.59) KDM4EPSMD14MAP2K1MEN1KMT2A
SCHEMBL12072279 0.77 KDM4E (0.55) KDM4EPSMD14MAP2K1MEN1KMT2A
SCHEMBL19128191 0.76 KDM4E (0.53) KDM4EPSMD14MAP2K1MEN1KMT2A
SCHEMBL2015215 0.75 L3MBTL1 (0.44) KDM4EMEN1KMT2APOLBGSK3B
SCHEMBL2014752 0.75 KMT2A (0.40) KDM4EMEN1KMT2ANPSR1GSK3B
SCHEMBL21902313 0.74 KDM4E (0.42) KDM4EPSMD14MAP2K1MEN1KMT2A
SCHEMBL2012706 0.74 TOP2A (0.42) KDM4EGSK3BRPS6KB1TOP2ACDC7
SCHEMBL2015003 0.74 PIK3CD (0.46) KDM4EMEN1KMT2ATOP2ATP53

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-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 KDM4E 1058/4885PSMD14 2000/4885MAP2K1 199/4885

“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.