SCHEMBL4802255

SCHEMBL4802255

CCc1nc(-c2ccccc2)c(C(=O)O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PIN1 Q13526 5/20 0.46
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CYP2C19 P33261 1/20 0.45
TNKS2 Q9H2K2 1/20 0.44
KDM4E B2RXH2 7/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL11054392 0.90 SMN1; SMN2 (0.49) SMN1; SMN2TP53L3MBTL1PIN1TNKS2
SCHEMBL10273850 0.88 ALDH1A1 (0.48) SMN1; SMN2CYP1A2MAPK1CYP2C19KDM4E
SCHEMBL5378775 0.80 KDM4E (0.59) SMN1; SMN2TP53L3MBTL1KDM4EHPGD
SCHEMBL1696508 0.80 TP53 (0.53) SMN1; SMN2TP53L3MBTL1CASP1TNKS2
SCHEMBL5762947 0.78 KDM4E (0.62) SMN1; SMN2PIN1CYP1A2MAPK1CASP1
SCHEMBL6503776 0.76 PIN1 (0.50) SMN1; SMN2PIN1CYP1A2MAPK1CASP1
SCHEMBL7695679 0.76 TP53 (0.54) SMN1; SMN2TP53L3MBTL1CYP1A2MAPK1
SCHEMBL4879884 0.75 KDM4E (0.59) SMN1; SMN2PIN1CYP1A2MAPK1CASP1
SCHEMBL11050965 0.75 ADORA3 (0.51) SMN1; SMN2L3MBTL1PIN1KDM4EHPGD
SCHEMBL5762937 0.75 PIN1 (0.49) SMN1; SMN2PIN1CYP1A2MAPK1CASP1

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 SMN1; SMN2 2527/4885TP53 2934/4885L3MBTL1 3516/4885

“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.