SCHEMBL3396285

SCHEMBL3396285

O=C(c1c(F)cc(Br)cc1F)N1CCS(=O)(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.37
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
HPGD P15428 5/20 0.35
GAA P10253 1/20 0.33

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
SCHEMBL3396292 0.87 LMNA (0.44) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL3399366 0.82 MEN1 (0.54) LMNAHTTKMT2AMEN1TSHR
SCHEMBL2799115 0.80 DGAT1 (0.49) LMNAALOX5APFEN1ALDH1A1KDM4E
SCHEMBL16151062 0.80 LMNA (0.46) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL2931560 0.79 TSHR (0.54) LMNAHTTKDM4EKMT2ATSHR
SCHEMBL14486 0.78 ALDH1A1 (0.50) ALDH1A1KDM4ETP53KMT2AHPGD
SCHEMBL15765108 0.73 LMNA (0.39) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL1085145 0.73 L3MBTL3 (0.66) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2574046 0.72 KMT2A (0.42) LMNACYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL16155915 0.72 MEN1 (0.47) LMNAALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 LMNA 3429/4885CYP1A2 393/4885CYP2C9 396/4885

“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.