SCHEMBL4714870

SCHEMBL4714870

O=C(Nc1ccccc1)Nc1nnc(Br)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.69
NPC1 O15118 5/20 0.69
ABL1 P00519 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
GAA P10253 3/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
TAAR1 Q96RJ0 1/20 0.58
MAPT P10636 6/20 0.57
TP53 P04637 2/20 0.57
EPHX1 P07099 1/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 1/20 0.57
CDK9 P50750 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL11562419 0.82 SMN1; SMN2 (0.73) RAB9ANPC1ABL1SMN1; SMN2GAA
SCHEMBL8144852 0.82 RAB9A (1.00) RAB9ANPC1ABL1SMN1; SMN2GAA
SCHEMBL11875075 0.78 NPC1 (0.62) RAB9ANPC1ABL1SMN1; SMN2GAA
SCHEMBL11714626 0.78 RAB9A (0.75) RAB9ANPC1ABL1SMN1; SMN2GAA
SCHEMBL4715713 0.78 CDK2 (0.63) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL23086147 0.77 RAB9A (0.83) RAB9ANPC1SMN1; SMN2GAAKDM4E
SCHEMBL8559872 0.77 HTT (0.73) RAB9ANPC1SMN1; SMN2GAAKDM4E
Diphenylurea SCHEMBL133103 0.75 SMN1; SMN2 (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL13499907 0.74 KMT2A (0.61) RAB9ANPC1SMN1; SMN2GAAKDM4E
SCHEMBL18824262 0.74 MAPT (0.71) RAB9ANPC1SMN1; SMN2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 RAB9A 4632/4885NPC1 4797/4885ABL1 35/4885

“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.