SCHEMBL4718073

SCHEMBL4718073

C#Cc1cccc(NC(=O)Nc2cc(C(C)(C)C)on2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
RAB9A P51151 2/20 0.69
NPC1 O15118 1/20 0.69
FLT3 P36888 8/20 0.60
MAPK14 Q16539 4/20 0.59
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RAF1 P04049 5/20 0.57
MAPK13 O15264 1/20 0.57
MAPK12 P53778 1/20 0.57
MAPK11 Q15759 1/20 0.57

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
SCHEMBL4037899 0.84 ALDH1A1 (0.70) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL4875323 0.83 MEN1 (0.62) KMT2AMEN1RAB9ANPC1FLT3
SCHEMBL1012716 0.83 RAB9A (0.76) KMT2AMEN1RAB9ANPC1FLT3
SCHEMBL14014125 0.83 KMT2A (0.76) KMT2AMEN1RAB9ANPC1FLT3
SCHEMBL2518089 0.82 MEN1 (1.00) KMT2AMEN1RAB9ANPC1FLT3
SCHEMBL4716313 0.82 KMT2A (0.60) KMT2AMEN1RAB9ANPC1FLT3
SCHEMBL4717254 0.82 MEN1 (0.60) KMT2AMEN1RAB9ANPC1FLT3
SCHEMBL4716331 0.82 MEN1 (0.60) KMT2AMEN1RAB9ANPC1FLT3
SCHEMBL1010628 0.81 KMT2A (0.74) KMT2AMEN1RAB9ANPC1FLT3
SCHEMBL13234449 0.81 KMT2A (0.74) KMT2AMEN1RAB9ANPC1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-20080153838-A1 Compounds Having Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080153838-A1 Compounds Having Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080153838-A1 Compounds Having Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-01-31 US disclosed
EP-1848715-A1 COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-10-31 EP disclosed
EP-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2006082404-A1 COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 WO disclosed
WO-2005060969-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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 (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-20080153838-A1 Compounds Having Tie2 (Tek) Activity TEK, TIE1, KDR KMT2A 163/4885MEN1 187/4885RAB9A 4395/4885
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 KMT2A 162/4885MEN1 1106/4885RAB9A 4665/4885

“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.