SCHEMBL3316889

SCHEMBL3316889

CCCCO/C=C/c1nc(Cl)ncc1Br

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.34
THRB P10828 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3316894 1.00 THRA (0.34) THRATHRBMEN1KMT2ANPC1
SCHEMBL17141150 0.86 NPC1 (0.34) NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3319502 0.86 NPC1 (0.34) NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3319508 0.86 NPC1 (0.34) NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL2199749 0.85 MEN1 (0.35) MEN1KMT2A
SCHEMBL2199746 0.85 MEN1 (0.35) MEN1KMT2A
SCHEMBL3313883 0.84 NPC1 (0.33) NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3313889 0.84 NPC1 (0.33) NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL16116237 0.83 ALDH1A1 (0.38) KMT2ANPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3319836 0.83 ALDH1A1 (0.38) KMT2ANPC1RAB9ASMN1; SMN2HSD17B10

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS THRA 3964/4885THRB 2611/4885MEN1 3480/4885

“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.