SCHEMBL716984

SCHEMBL716984

Cc1c(F)ccc2cc(C=N[S@+]([O-])C(C)(C)C)c(Cl)nc12

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL716981 1.00 KMT2A (0.32) KMT2AMEN1MAPTGAANPC1
SCHEMBL716983 1.00 KMT2A (0.32) KMT2AMEN1MAPTGAANPC1
SCHEMBL716982 1.00 KMT2A (0.32) KMT2AMEN1MAPTGAANPC1
SCHEMBL19331535 0.84 MAPT (0.36) KMT2AMEN1MAPTGAANPC1
SCHEMBL19331536 0.84 MAPT (0.36) KMT2AMEN1MAPTGAANPC1
SCHEMBL721697 0.82 ALDH1A1 (0.34) KMT2AMEN1MAPTGAANPC1
SCHEMBL721694 0.82 ALDH1A1 (0.34) KMT2AMEN1MAPTGAANPC1
SCHEMBL721695 0.82 ALDH1A1 (0.34) KMT2AMEN1MAPTGAANPC1
SCHEMBL721696 0.82 ALDH1A1 (0.34) KMT2AMEN1MAPTGAANPC1
SCHEMBL2116469 0.81 MAPT (0.48) KMT2AMEN1MAPTGAANPC1

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 13 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
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP disclosed
US-8957090-B2 Fused bicyclic pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2015-02-17 US disclosed
EP-2499126-B1 FUSED BICYCLIC PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2015-01-07 EP disclosed
EP-2499129-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-07-30 EP disclosed
US-8785628-B2 Triazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-07-22 US disclosed
US-8653105-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2014-02-18 US disclosed
EP-2499144-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2013-10-23 EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20130012515-A1 Fused Bicyclic Pyridine and Pyrazine Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-10 US disclosed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 US disclosed
US-20120053167-A1 Triazine Derivatives as Kinase Inhibitors UCB PHARMA, S.A. (BE) 2012-03-01 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 (4 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-20120053167-A1 Triazine Derivatives as Kinase Inhibitors MAP3K15, PI4KA, MAP3K20 KMT2A 1670/4885MEN1 3000/4885MAPT 1229/4885
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA KMT2A 2560/4885MEN1 3086/4885MAPT 1748/4885
US-20130012515-A1 Fused Bicyclic Pyridine and Pyrazine Derivatives as Kinase Inhibitors MAP3K13, MAP3K15, MAP3K12 KMT2A 2748/4885MEN1 3445/4885MAPT 1705/4885
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA KMT2A 4018/4885MEN1 3999/4885MAPT 1441/4885

“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.