SCHEMBL4076368

SCHEMBL4076368

Cc1cc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc(N)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.58
PDGFRB P09619 1/20 0.53
RET P07949 7/20 0.53
LCK P06239 3/20 0.53
SRC P12931 2/20 0.53
NTRK1 P04629 5/20 0.49
NTRK2 Q16620 3/20 0.49
KCNH2 Q12809 3/20 0.49
NTRK3 Q16288 2/20 0.49
KDR P35968 3/20 0.46
TEK Q02763 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PRKDC P78527 1/20 0.43
AKT1 P31749 2/20 0.42
MTOR P42345 2/20 0.42

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
SCHEMBL4080682 0.86 PDPK1 (0.55) PDPK1PDGFRBRETLCKSRC
SCHEMBL4084830 0.83 NTRK1 (0.61) PDPK1PDGFRBRETLCKSRC
SCHEMBL15636480 0.82 NTRK1 (0.58) NTRK1
SCHEMBL4086560 0.79 NTRK1 (0.64) PDPK1PDGFRBRETLCKSRC
SCHEMBL1942062 0.79 PDGFRB (0.67) PDPK1PDGFRBRETLCKSRC
SCHEMBL4079290 0.79 PDPK1 (0.64) PDPK1PDGFRBRETLCKSRC
SCHEMBL4078414 0.78 NTRK1 (0.67) PDPK1PDGFRBRETLCKSRC
SCHEMBL1942060 0.78 PDGFRB (0.66) PDPK1PDGFRBRETLCKSRC
SCHEMBL4086042 0.78 NTRK1 (0.52) PDPK1PDGFRBRETLCKSRC
SCHEMBL4088496 0.77 PDGFRB (0.63) PDPK1PDGFRBRETLCKSRC

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
US-7595325-B2 Substituted pyrrolo[2,3-d]pyrimidine derivatives useful in cancer treatment PFIZER INC. (US) 2009-09-29 US disclosed
EP-1773836-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT Pfizer Products Inc. (US) 2007-04-18 EP disclosed
US-20060035912-A1 Pyrrolopyrimidine derivatives useful in cancer treatment PFIZER INC 2006-02-16 US disclosed
WO-2005116035-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT PFIZER PRODUCTS INC. (US) 2005-12-08 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 (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 2700/4885RET 255/4885

“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.