SCHEMBL4513657

SCHEMBL4513657

FC(F)(F)Nc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK10 P53779 1/20 0.50
GFER P55789 1/20 0.50
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
PKM P14618 3/20 0.47
CXCR4 P61073 1/20 0.45
GAA P10253 2/20 0.44
FABP1 P07148 1/20 0.44
FABP6 P51161 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL31216658 1.00 KDM4E (0.50) KDM4EMEN1KMT2AMAPK10GFER
SCHEMBL28069466 0.78 KDM4E (0.47) KDM4EMEN1KMT2AMAPK10GFER
SCHEMBL7448182 0.77 MEN1 (0.50) KDM4EMEN1KMT2AMAPK10GFER
SCHEMBL28279163 0.76 MEN1 (0.48) KDM4EMEN1KMT2AMAPK10GFER
SCHEMBL3851269 0.76 MEN1 (0.48) KDM4EMEN1KMT2AMAPK10GFER
SCHEMBL19581189 0.76 MEN1 (0.48) KDM4EMEN1KMT2AMAPK10GFER
SCHEMBL9376222 0.74 NPC1 (0.48) KDM4EMEN1KMT2AMAPK10GFER
SCHEMBL24134532 0.73
SCHEMBL1274368 0.72 CXCR4 (0.55) KDM4EMEN1KMT2AMAPK10GFER
SCHEMBL29552506 0.72 CXCR4 (0.55) KDM4EMEN1KMT2AMAPK10GFER

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
WO-2023179771-A1 CRYSTALLINE FORMS AND SALTS OF A PI3K INHIBITOR AND METHODS OF MAKING AND METHODS OF USE THEREOF TOTUS MEDICINES INC. (US) 2023-09-28 WO disclosed
EP-3993707-A1 USE OF ULTRAFAST ELASTICITY IMAGING FOR DETECTING PANCREATIC CANCERS Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2022-05-11 EP disclosed
WO-2021001426-A1 USE OF ULTRAFAST ELASTICITY IMAGING FOR DETECTING PANCREATIC CANCERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-01-07 WO disclosed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 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 (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-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA KDM4E 1674/4885MEN1 4278/4885KMT2A 1748/4885

“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.