SCHEMBL4719577

SCHEMBL4719577

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)Nc2ccc3c(c2)OCCO3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.52
RAB9A P51151 14/20 0.52
SMN1; SMN2 Q16637 9/20 0.52
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
MAPT P10636 6/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 4/20 0.51
BAZ1A Q9NRL2 1/20 0.51
ALDH1A1 P00352 1/20 0.49
PKM P14618 2/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL4719226 0.83 KDR (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4720987 0.82 RAB9A (0.57) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4719313 0.80 EPHX1 (0.51) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4717500 0.80 GRM5 (0.50) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL4719248 0.79 PTPN11 (0.50) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5251355 0.79 KDR (0.54) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4717542 0.78 BAZ1A (0.54) RAB9AKMT2AMEN1MAPTBAZ1A
SCHEMBL4721101 0.78 BTK (0.51) NPC1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL27669462 0.77 ADK (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4720436 0.77 TEK (0.61) RAB9AKMT2AMEN1MAPTALDH1A1

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 NPC1 4792/4885RAB9A 4665/4885SMN1; SMN2 3049/4885

“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.