SCHEMBL6033744

SCHEMBL6033744

N#Cc1cnc(Nc2ccc(OCCn3cncn3)cc2)nc1-c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.47
KDR P35968 11/20 0.46
CDK1 P06493 9/20 0.46
EGFR P00533 1/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6034172 0.87 KDR (0.57) KDRCDK1EGFRCYP1A2SMN1; SMN2
SCHEMBL6033873 0.86 SYK (0.51) SYKKDRCDK1
SCHEMBL6033825 0.86 SYK (0.55) SYKKDRCDK1EGFRCYP1A1
SCHEMBL6033719 0.85 KDR (0.52) KDRCDK1EGFRSMN1; SMN2ALDH1A1
SCHEMBL6033161 0.85 SYK (0.50) SYKKDRCDK1
SCHEMBL6033887 0.85 KDR (0.61) KDRCDK1EGFRSMN1; SMN2ALDH1A1
SCHEMBL6033929 0.81 MAPK10 (0.47) SYKKDRCDK1CYP1A1CYP1A2
SCHEMBL6033287 0.74 NPC1 (0.60) SYKKDRCDK1CYP1A1CYP1A2
SCHEMBL6034280 0.74 CDK1 (0.58) SYKKDRCDK1EGFRCYP1A2
SCHEMBL6034025 0.72 KDR (0.60) SYKKDRCDK1CYP1A2SMN1; SMN2

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 4 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

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 SYK 320/4885KDR 3/4885CDK1 58/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR SYK 383/4885KDR 3/4885CDK1 59/4885

“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.