SCHEMBL4796192

SCHEMBL4796192

Cn1cnc(-c2ccccc2)c1-c1cc2cncnc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 1/20 0.49
KDR P35968 5/20 0.43
TEK Q02763 5/20 0.43
FLT1 P17948 4/20 0.43
TNIK Q9UKE5 1/20 0.41
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
NSD2 O96028 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
BRD4 O60885 1/20 0.37
MAPK14 Q16539 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36

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
SCHEMBL180217 0.78 CCNB2 (0.50) BRD4CCNB2CDK1CCNB1CDK5
SCHEMBL4798739 0.73 NSD3 (0.49) NSD3KDRTEKFLT1TNIK
SCHEMBL4799990 0.72 TEK (0.53) NSD3KDRTEKFLT1TNIK
SCHEMBL1009513 0.70 NSD3 (0.83) NSD3KDRTEKFLT1TNIK
SCHEMBL29874438 0.69 NSD3 (0.80) NSD3KDRTEKFLT1TNIK
SCHEMBL4797681 0.68 TEK (0.60) NSD3KDRTEKFLT1
SCHEMBL28868920 0.68 ADORA2A (0.48) BRD4KIT
SCHEMBL4584865 0.67 NSD3 (1.00) NSD3KDRTEKFLT1NSD2
SCHEMBL27412769 0.66 CCNB2 (0.54) CYP1A2CCNB2CDK1CCNB1CDK5
SCHEMBL30694450 0.65 RIPK1 (0.64) CCNB2CDK1CCNB1CDK5CDK5R1

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-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
CN-1688579-A Condensed pyridines and pyrimidines with TIE2 (TEK) activity ASTRAZENECA AB (SE) 2005-10-26 CN 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
CN-1688579-A Condensed pyridines and pyrimidines with TIE2 (TEK) activity ASTRAZENECA AB (SE) 2005-10-26 CN 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 NSD3 978/4885KDR 3/4885TEK 2/4885

“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.