SCHEMBL6033167

SCHEMBL6033167

Nc1ccc(OCCn2ccnn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
ATP4A P20648 1/20 0.44
ATP4B P51164 1/20 0.44
CYP19A1 P11511 3/20 0.44
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
NFE2L2 Q16236 1/20 0.37
TBXAS1 P24557 3/20 0.37

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
SCHEMBL5564341 0.92 ATP4A (0.52) LTA4HPTGS1PTGS2ATP4AATP4B
SCHEMBL15579116 0.84 MAPK1 (0.55) LTA4HPTGS2ATP4AATP4BCYP19A1
SCHEMBL13246360 0.84 QPCT (0.50) ATP4AATP4BCYP19A1NPC1RAB9A
SCHEMBL29480048 0.84 LTA4H (0.45) LTA4HATP4AATP4BCYP19A1NPC1
SCHEMBL3112298 0.83 TBXAS1 (0.53) LTA4HATP4AATP4BCYP19A1NPC1
SCHEMBL13201562 0.81 ATP4A (0.53) ATP4AATP4BCYP19A1KDM4E
SCHEMBL17298869 0.80 AR (0.37) LTA4HATP4AATP4BCYP19A1RAB9A
SCHEMBL14189706 0.80 ATP4A (0.52) ATP4AATP4BCYP19A1KMT2AKDM4E
SCHEMBL5558170 0.78 CYP19A1 (0.39) LTA4HATP4AATP4BCYP19A1TDP1
SCHEMBL6034573 0.78 LTA4H (0.51) LTA4HPTGS1PTGS2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US disclosed
US-6579983-B1 Potent and selective inhibitors of receptor tyrosine kinases involved in angiogenesis, especially KDR kinase and/or FGFr kinase CELLTECH R&D LIMITED (GB) 2003-06-17 US disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 US disclosed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 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-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR LTA4H 3576/4885PTGS1 683/4885PTGS2 1917/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR LTA4H 3437/4885PTGS1 618/4885PTGS2 1834/4885

“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.