SCHEMBL13616799

SCHEMBL13616799

CC1CN(C2CCCC2)c2nc(Nc3ccc4[nH]ncc4c3)ncc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.50
ULK1 O75385 1/20 0.46
SYK P43405 1/20 0.45
ROCK2 O75116 10/20 0.44
ROCK1 Q13464 6/20 0.44
KDR P35968 4/20 0.44
WEE1 P30291 3/20 0.44
ALK Q9UM73 3/20 0.44
AURKA O14965 2/20 0.44
DAPK3 O43293 2/20 0.44
JAK2 O60674 2/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
PAK4 O96013 2/20 0.44
NTRK1 P04629 2/20 0.44
LCK P06239 2/20 0.44
FYN P06241 2/20 0.44
CSF1R P07333 2/20 0.44
RET P07949 2/20 0.44
IGF1R P08069 2/20 0.44

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
SCHEMBL13616150 0.86 ULK1 (0.46) ULK1SYKWEE1LCKIGF1R
SCHEMBL13616147 0.83 JAK1 (0.43) AURKAJAK3AURKB
SCHEMBL13616093 0.77 RPS6KA6 (0.59) FGFR1
SCHEMBL1203509 0.76 PLK1 (0.55) CDC7SYKROCK1KDRWEE1
SCHEMBL13616167 0.76 CDK2 (0.57) CDK9
SCHEMBL11976974 0.75 RPS6KA6 (0.59) KDRWEE1ALKAURKAJAK2
SCHEMBL2436329 0.75 PLK1 (0.51) CDC7ULK1SYKROCK1KDR
SCHEMBL13616293 0.74 CDK4 (0.60) KDRWEE1ALKAURKAJAK2
SCHEMBL12894104 0.74 PLK1 (0.50) CDC7ULK1SYKROCK1KDR
SCHEMBL29208311 0.74 CDC7 (0.52) CDC7ULK1SYKROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 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 (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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP CDC7 266/4885ULK1 467/4885SYK 1001/4885

“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.