SCHEMBL834743

SCHEMBL834743

Cc1cc(C(=O)Nc2cccc(I)c2)n(C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
BRAF P15056 2/20 0.53
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HIF1A Q16665 1/20 0.52
KDR P35968 6/20 0.47
PDGFRB P09619 5/20 0.47
KIT P10721 5/20 0.47
FLT1 P17948 5/20 0.47
AURKA O14965 4/20 0.47
NPY5R Q15761 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.45
BACE1 P56817 1/20 0.45
FGFR1 P11362 1/20 0.45

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
SCHEMBL17664634 0.86 SMN1; SMN2 (0.59) KMT2AMEN1BRAFMAPTALDH1A1
SCHEMBL2517076 0.85 KMT2A (0.56) KMT2AMEN1BRAFMAPTALDH1A1
SCHEMBL7862694 0.84 TSHR (0.59) KMT2AMEN1BRAFMAPTALDH1A1
SCHEMBL2516724 0.84 KMT2A (0.55) KMT2AMEN1BRAFMAPTALDH1A1
SCHEMBL17660204 0.82 KMT2A (0.53) KMT2AMEN1BRAFMAPTALDH1A1
SCHEMBL834475 0.81 KMT2A (0.52) KMT2AMEN1BRAFMAPTALDH1A1
SCHEMBL2519083 0.80 MEN1 (0.61) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL17664559 0.79 POLB (0.60) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL2517050 0.77 KMT2A (0.48) KMT2AMEN1BRAFMAPTALDH1A1
SCHEMBL11409305 0.76 KMT2A (0.57) KMT2AMEN1ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099757-B1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN INC (US) 2014-06-25 EP disclosed
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
WO-2010078393-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-08 WO disclosed
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 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 (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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KMT2A 1670/4885MEN1 3831/4885BRAF 72/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KMT2A 1670/4885MEN1 3831/4885BRAF 72/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KMT2A 1670/4885MEN1 3831/4885BRAF 72/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KMT2A 1362/4885MEN1 3744/4885BRAF 23/4885

“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.