SCHEMBL4467490

SCHEMBL4467490

CSc1ncnc2sc(C=O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
CSNK2A2 P19784 3/20 0.40
CSNK2B P67870 3/20 0.40
CSNK2A1 P68400 3/20 0.40
NOTUM Q6P988 1/20 0.40
HTT P42858 2/20 0.39
CYP2A6 P11509 1/20 0.38
PLK1 P53350 1/20 0.38
ICAM1 P05362 5/20 0.36
SELE P16581 5/20 0.36
VCAM1 P19320 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 2/20 0.33
MEN1 O00255 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
SCHEMBL4479617 0.81 ALDH1A1 (0.40) ALDH1A1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL4479614 0.81 ALDH1A1 (0.40) ALDH1A1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL20589708 0.76 CYP2A6 (0.37) ALDH1A1CYP2A6ICAM1SELE
SCHEMBL29370624 0.76 CSNK2A2 (0.59) ALDH1A1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL4801211 0.75 ALDH1A1 (0.45) ALDH1A1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL4801961 0.75 LIMK1 (0.42) CSNK2A1CYP2A6L3MBTL1
SCHEMBL4420334 0.74 STK17B (0.40) ALDH1A1LMNA
SCHEMBL4800416 0.68 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL4801478 0.66 TEK (0.45) ALDH1A1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL4803560 0.66 SELE (0.38) ALDH1A1LMNACSNK2A2CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476677-B2 Substituted thieno- and thiazolo- [2,3-d]pyrimidines and [2,3-c]pyridines as inhibitors of Tie2 ASTRAZENECA AB (SE) 2009-01-13 US disclosed
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1716155-B1 SUBSTITUTED THIENO- AND THIAZOLO[2,3-D]PYRIMIDINES AND [2,3-C]PYRIDINES AS INHIBITORS OF TIE2 ASTRAZENECA AB (SE) 2008-02-27 EP disclosed
US-20070135455-A1 Substituted thieno- and thiazolo- [2,3-d]pyrimidines and [2,3-c]pyridines as inhibitors of tie2 ASTRA ZENECA AB (SE) 2007-06-14 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 (2 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-20070135455-A1 Substituted thieno- and thiazolo- [2,3-d]pyrimidines and [2,3-c]pyridines as inhibitors of tie2 TIE1, TEK, TEKT1 ALDH1A1 1027/4885LMNA 3921/4885CSNK2A2 1043/4885
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR ALDH1A1 2177/4885LMNA 3041/4885CSNK2A2 303/4885

“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.