SCHEMBL6033895

SCHEMBL6033895

N#Cc1cnc(Nc2ccc(F)cc2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.64
CCNB1 P14635 1/20 0.64
FLT3 P36888 1/20 0.64
CDK7 P50613 1/20 0.64
CCNH P51946 1/20 0.64
MNAT1 P51948 1/20 0.64
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
KDR P35968 9/20 0.51
EGFR P00533 2/20 0.50
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TP53 P04637 1/20 0.48
CDK2 P24941 2/20 0.46
JUN P05412 1/20 0.46

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
SCHEMBL21549440 0.82 CDK7 (0.57) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL6033939 0.82 CDK1 (0.65) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL6033848 0.80 CDK1 (0.56) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL21596340 0.80 FLT3 (0.77) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL6033778 0.78 JAK3 (0.59) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL11989664 0.78 KDR (0.53) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL21549428 0.76 CCNK (0.66) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL21596305 0.76 IMPDH2 (0.49) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL30261054 0.76 IMPDH2 (0.49) CDK1CCNB1FLT3CDK7CCNH
SCHEMBL4510383 0.75 FLT3 (0.64) CDK1CCNB1FLT3GAAMAPT

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 CDK1 58/4885CCNB1 219/4885FLT3 21/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR CDK1 59/4885CCNB1 201/4885FLT3 26/4885

“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.