SCHEMBL4803546

SCHEMBL4803546

Cc1ccccc1Cn1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.66
FLT1 P17948 2/20 0.66
KDR P35968 2/20 0.66
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PIK3CD O00329 3/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4803686 0.90 TEK (0.66) TEKFLT1KDRSMN1; SMN2ALDH1A1
SCHEMBL27617984 0.89 TEK (0.64) TEKFLT1KDRSMN1; SMN2ALDH1A1
SCHEMBL4803150 0.88 TEK (0.63) TEKFLT1KDRSMN1; SMN2ALDH1A1
SCHEMBL4802282 0.88 TEK (0.63) TEKFLT1KDRSMN1; SMN2ALDH1A1
SCHEMBL4804616 0.87 TEK (0.69) TEKFLT1KDRSMN1; SMN2ALDH1A1
SCHEMBL4795867 0.86 TEK (0.74) TEKFLT1KDRSMN1; SMN2ALDH1A1
SCHEMBL4799743 0.84 TEK (0.60) TEKFLT1KDRSMN1; SMN2ALDH1A1
SCHEMBL4799715 0.83 TEK (0.59) TEKFLT1KDRSMN1; SMN2ALDH1A1
SCHEMBL4800301 0.83 TEK (0.70) TEKFLT1KDRSMN1; SMN2ALDH1A1
SCHEMBL4803015 0.83 TEK (0.56) TEKFLT1KDRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US claimed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP claimed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US claimed
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR TEK 2/4885FLT1 6/4885KDR 3/4885

“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.