SCHEMBL6033205

SCHEMBL6033205

CN(C)C=C(C#N)C(=O)c1nccs1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
CYP2C9 P11712 2/20 0.41
POLB P06746 2/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 7/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 3/20 0.38
RECQL P46063 1/20 0.37
MEN1 O00255 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
SCHEMBL15657999 0.78 FTO (0.42) ALDH1A1POLBRAB9AL3MBTL1LMNA
SCHEMBL7192578 0.78 FTO (0.42) ALDH1A1POLBRAB9AL3MBTL1LMNA
SCHEMBL15658000 0.78 FTO (0.42) ALDH1A1POLBRAB9AL3MBTL1LMNA
SCHEMBL9195933 0.75 POLB (0.49) ALDH1A1CYP2C9POLBRAB9AL3MBTL1
SCHEMBL9270388 0.75 POLB (0.49) ALDH1A1CYP2C9POLBRAB9AL3MBTL1
SCHEMBL13916092 0.72 EGFR (0.54) ALDH1A1CYP2C9POLBCYP2C19RAB9A
SCHEMBL2985798 0.72 EGFR (0.54) ALDH1A1CYP2C9POLBCYP2C19RAB9A
SCHEMBL2985800 0.72 EGFR (0.54) ALDH1A1CYP2C9POLBCYP2C19RAB9A
SCHEMBL28027939 0.71 ALDH1A1 (0.67) ALDH1A1CYP2C19RAB9AL3MBTL1MAPT
SCHEMBL12200408 0.71 ALDH1A1 (0.55) ALDH1A1CYP2C9POLBCYP2C19RAB9A

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 ALDH1A1 873/4885CYP2C9 569/4885POLB 832/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR ALDH1A1 859/4885CYP2C9 604/4885POLB 837/4885

“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.