SCHEMBL4079535

SCHEMBL4079535

CC(C)n1cc(C(=O)c2cccc(Br)n2)c2c(Cl)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 10/20 0.45
PDGFRB P09619 1/20 0.44
NTRK1 P04629 7/20 0.39
RET P07949 2/20 0.38
LCK P06239 1/20 0.38
SRC P12931 1/20 0.38
KCNH2 Q12809 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
AKT1 P31749 6/20 0.37
MTOR P42345 6/20 0.37
AURKA O14965 1/20 0.37
GSK3B P49841 1/20 0.37
MARK1 Q9P0L2 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 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
SCHEMBL4090394 0.76 PDPK1 (0.61) PDPK1PDGFRBNTRK1RETLCK
SCHEMBL4086378 0.74 NTRK1 (0.52) PDPK1NTRK1KCNH2NTRK3NTRK2
SCHEMBL1942227 0.74 TSHR (0.43) PDPK1PDGFRBLCK
SCHEMBL4079468 0.73 PDGFRB (0.49) PDPK1PDGFRBNTRK1RETKCNH2
SCHEMBL4081244 0.70 PDGFRB (0.74) PDPK1PDGFRBNTRK1RETLCK
SCHEMBL4085610 0.70 PDGFRB (0.57) PDPK1PDGFRBNTRK1RETLCK
SCHEMBL1939924 0.70 ADK (0.46) RETLCKSRCPIK3CDPIK3CA
SCHEMBL4081430 0.70 PDGFRB (0.58) PDPK1PDGFRBNTRK1RETLCK
SCHEMBL4086121 0.69 PDGFRB (0.42) PDPK1PDGFRBNTRK1LCKKCNH2
SCHEMBL4076422 0.69 PDGFRB (0.71) PDPK1PDGFRBNTRK1RETLCK

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-7595325-B2 Substituted pyrrolo[2,3-d]pyrimidine derivatives useful in cancer treatment PFIZER INC. (US) 2009-09-29 US disclosed
US-20060035912-A1 Pyrrolopyrimidine derivatives useful in cancer treatment PFIZER INC 2006-02-16 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-20060035912-A1 Pyrrolopyrimidine derivatives useful in cancer treatment TP53, DPYD, CCNT1 PDPK1 947/4885PDGFRB 2700/4885NTRK1 3916/4885

“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.