SCHEMBL13500271

SCHEMBL13500271

Nc1ncc(-c2cccc(NC(=O)NCc3cc(F)ccc3N3CCOCC3)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
BTK Q06187 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MTOR P42345 7/20 0.42
PIK3CA P42336 7/20 0.42
AKT1 P31749 3/20 0.42
EPHX2 P34913 2/20 0.42
PIK3R1 P27986 1/20 0.41
JAK3 P52333 1/20 0.40

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
SCHEMBL13500262 0.90 SCN2A (0.47) NPC1RAB9AHDAC6MTORPIK3CA
SCHEMBL3580192 0.89 LCK (0.43) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL13500278 0.81 SCN2A (0.46)
SCHEMBL13500282 0.80 SCN2A (0.55) HDAC6MTORPIK3CAAKT1PIK3R1
SCHEMBL13500320 0.79 FGFR3 (0.48) NPC1RAB9ABTK
SCHEMBL3578235 0.79 SCN2A (0.45) BTKMEN1ALDH1A1MAPTHTT
SCHEMBL13500328 0.77 KDR (0.42) BTKKMT2A
SCHEMBL14108028 0.75 SCN2A (0.60) NPC1SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL3589523 0.74 LCK (0.40) HTTMTORPIK3CAPIK3R1
SCHEMBL14107775 0.74 SRC (0.47) RAB9AMEN1ALDH1A1KMT2AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 NPC1 4705/4885RAB9A 2942/4885BTK 218/4885

“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.