SCHEMBL4801016

SCHEMBL4801016

CSc1ncnc2sc(CO)nc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOTUM Q6P988 9/20 0.32
CSNK2A2 P19784 4/20 0.32
CSNK2B P67870 4/20 0.32
CSNK2A1 P68400 4/20 0.32
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.30
PLK1 P53350 1/20 0.30

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
SCHEMBL5064708 0.79 CYP1A2 (0.43) ALDH1A1LMNACYP1A2SMN1; SMN2NOTUM
SCHEMBL5061356 0.77 ALDH1A1 (0.36) ALDH1A1LMNACYP1A2TSHR
SCHEMBL5065447 0.76 ALDH1A1 (0.50) ALDH1A1LMNACYP1A2TSHRHPGD
SCHEMBL5061164 0.76 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL4799770 0.75
SCHEMBL5458654 0.73 ALDH1A1 (0.41) ALDH1A1LMNANOTUMCSNK2A2CSNK2B
SCHEMBL14032004 0.72 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL5067504 0.72 ALDH1A1 (0.40) ALDH1A1LMNANOTUMCSNK2A2CSNK2B
SCHEMBL5068984 0.71 MKNK2 (0.42) ALDH1A1LMNAHPGD
SCHEMBL4800416 0.71 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2TSHRTP53

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 5 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 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
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 WO 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 ALDH1A1 2177/4885LMNA 3041/4885CYP1A2 1052/4885

“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.