SCHEMBL4720600

SCHEMBL4720600

CN(C)CCN(C)c1ncncc1C#Cc1cccc(NC(=O)Nc2cc(C(C)(C)C)on2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
BRAF P15056 6/20 0.43
RAF1 P04049 5/20 0.43
RET P07949 2/20 0.43
FLT3 P36888 7/20 0.43
MAPK14 Q16539 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
SCHEMBL4717784 0.87 BRAF (0.46) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL4718597 0.86 BRAF (0.46) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL4723181 0.85 BRAF (0.45) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL4717449 0.83 KMT2A (0.53) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL4723175 0.83 MEN1 (0.53) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL4719770 0.82 MEN1 (0.53) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL4721835 0.82 BRAF (0.53) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL4878908 0.82 BRAF (0.55) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL4717473 0.81 MEN1 (0.51) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL4875323 0.81 MEN1 (0.62) MEN1NPC1RAB9AKMT2ABRAF

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
EP-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP claimed
EP-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-01-31 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-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 MEN1 1106/4885NPC1 4792/4885RAB9A 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.