SCHEMBL4479614

SCHEMBL4479614

C/N=C\c1cc2c(SC)ncnc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
CSNK2A2 P19784 3/20 0.36
CSNK2B P67870 3/20 0.36
CSNK2A1 P68400 3/20 0.36
NOTUM Q6P988 1/20 0.36
ICAM1 P05362 5/20 0.35
SELE P16581 5/20 0.35
VCAM1 P19320 5/20 0.35
HTT P42858 1/20 0.35
PLK1 P53350 1/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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 1.00 ALDH1A1 (0.40) ALDH1A1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL4467490 0.81 ALDH1A1 (0.41) ALDH1A1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL4801211 0.72 ALDH1A1 (0.45) ALDH1A1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL4801478 0.64 TEK (0.45) ALDH1A1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL4803560 0.64 SELE (0.38) ALDH1A1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL9199015 0.63 ALDH1A1 (0.39) ALDH1A1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL6837677 0.61 ALDH1A1 (0.43) ALDH1A1LMNARAB9AHPGDTP53
SCHEMBL4796150 0.60 TEK (0.72) ALDH1A1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL5065447 0.57 ALDH1A1 (0.50) ALDH1A1LMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL6250372 0.57 ALDH1A1 (1.00) 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.