SCHEMBL4797754

SCHEMBL4797754

NC(=O)N(c1c[c]ccc1)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
KDR P35968 3/20 0.33
LTC4S Q16873 3/20 0.33
KIF11 P52732 1/20 0.32
KCNN4 O15554 1/20 0.32
POLQ O75417 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
P2RX4 Q99571 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CES2 O00748 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
SCHEMBL4798418 0.85 GAA (0.36) GAAKDRLTC4SKIF11KCNN4
SCHEMBL14300694 0.73 POLQ (0.42) LTC4SKCNN4POLQKDM4EALDH1A1
SCHEMBL753482 0.72 S100A4 (0.33) KCNN4ALDH1A1TSHR
SCHEMBL27760015 0.72 IDO1 (0.36) KDRKIF11KCNN4POLQP2RX4
SCHEMBL27760010 0.71 DGAT1 (0.41) GAAKDRKIF11KDM4EALDH1A1
SCHEMBL4798032 0.71 NPSR1 (0.45) GAAALDH1A1HPGDHSD17B10MEN1
SCHEMBL5105258 0.71 TEK (0.52) KDRLTC4SPOLQ
SCHEMBL6056818 0.69 F11 (0.43) GAAKDRLTC4SCA12CA1
SCHEMBL27516971 0.69 POLQ (0.40) KCNN4POLQKDM4EALDH1A1HPGD
SCHEMBL7741946 0.68 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10MEN1

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 GAA 4572/4885KDR 3/4885LTC4S 1789/4885

“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.