SCHEMBL4882364

SCHEMBL4882364

O=C(O)NC=Nc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
BRAF P15056 1/20 0.46
NR1H4 Q96RI1 1/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MALT1 Q9UDY8 9/20 0.42
CCR1 P32246 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MET P08581 1/20 0.41
AXL P30530 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
SCHEMBL2858034 0.88 BRAF (0.43) KDM4EALDH1A1BRAFNR1H4MAPT
SCHEMBL2852818 0.82 NPC1 (0.50) KDM4EALDH1A1BRAFNR1H4MAPT
SCHEMBL13513708 0.82 KDM4E (0.53) KDM4EALDH1A1BRAFMAPTMALT1
SCHEMBL2857034 0.82 KDM4E (0.62) KDM4EALDH1A1BRAFNR1H4MAPT
SCHEMBL2850892 0.81 NR1H4 (0.53) KDM4EALDH1A1BRAFNR1H4MAPT
SCHEMBL14539344 0.81 KDM4E (0.52) KDM4EALDH1A1BRAFNR1H4MAPT
SCHEMBL14258157 0.79 KEAP1 (0.50) KDM4EALDH1A1BRAFNR1H4MAPT
SCHEMBL13513752 0.79 BRAF (0.49) KDM4EALDH1A1BRAFNR1H4MAPT
SCHEMBL4882354 0.79 NPC1 (0.49) KDM4EALDH1A1BRAFNR1H4MAPT
SCHEMBL2850859 0.78 KEAP1 (0.51) KDM4EALDH1A1BRAFNR1H4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (2 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 KDM4E 2869/4885ALDH1A1 3589/4885BRAF 738/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 KDM4E 2869/4885ALDH1A1 3589/4885BRAF 738/4885

“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.