SCHEMBL863617

SCHEMBL863617

Cc1c(F)ccc2cc(C(C)NC(=O)O)c(NCCO)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 3/20 0.35
IDH1 O75874 2/20 0.35
PIK3CD O00329 1/20 0.34
LMNA P02545 3/20 0.33
TSHR P16473 3/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
CYP1A2 P05177 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.32

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
SCHEMBL863915 0.88 CDK5 (0.39) ALDH1A1KDM4EMAPK1CDK5CDK5R1
SCHEMBL15184804 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10IDH1PIK3CD
SCHEMBL15184803 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10IDH1PIK3CD
SCHEMBL716685 0.79 L3MBTL1 (0.34) MEN1KMT2ASMN1; SMN2L3MBTL1EPRS1
SCHEMBL14482160 0.76 MEN1 (0.35) ALDH1A1KDM4ELMNAMEN1MAPT
SCHEMBL11849 0.74 KMT2A (0.39) ALDH1A1KDM4ELMNATSHRMAPK1
SCHEMBL715924 0.73 OPRK1 (0.41) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL3714054 0.71 KDM4E (0.37) ALDH1A1KDM4EHSD17B10PIK3CDCYP1A2
SCHEMBL14480924 0.70 OPRK1 (0.39) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL14481792 0.70 OPRK1 (0.39) PIK3CDMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 US disclosed
EP-2396315-A1 FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2011-12-21 EP disclosed
WO-2010092340-A1 FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-08-19 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA ALDH1A1 3850/4885KDM4E 2074/4885HSD17B10 4092/4885

“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.