SCHEMBL4081430

SCHEMBL4081430

CC(C)n1cc(C(=O)c2cccc(NC(=O)Nc3ccccc3Cl)n2)c2c(N)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.58
PDPK1 O15530 11/20 0.56
NTRK1 P04629 6/20 0.53
NTRK3 Q16288 2/20 0.53
NTRK2 Q16620 2/20 0.53
RET P07949 4/20 0.49
LCK P06239 2/20 0.49
SRC P12931 2/20 0.49
AKT1 P31749 8/20 0.48
MTOR P42345 8/20 0.48
AURKA O14965 3/20 0.48
GSK3B P49841 3/20 0.48
MARK1 Q9P0L2 3/20 0.48
KCNH2 Q12809 2/20 0.47
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
ERBB3 P21860 1/20 0.42
ERBB4 Q15303 1/20 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
SCHEMBL4086404 0.92 PDGFRB (0.62) PDGFRBPDPK1NTRK1NTRK3NTRK2
SCHEMBL4076616 0.90 NTRK1 (0.61) PDGFRBPDPK1NTRK1NTRK3NTRK2
SCHEMBL4081244 0.89 PDGFRB (0.74) PDGFRBPDPK1NTRK1NTRK3NTRK2
SCHEMBL4076422 0.86 PDGFRB (0.71) PDGFRBPDPK1NTRK1NTRK3NTRK2
SCHEMBL1940188 0.86 PDGFRB (0.59) PDGFRBPDPK1NTRK1NTRK3NTRK2
SCHEMBL4088005 0.85 NTRK1 (0.73) PDGFRBPDPK1NTRK1NTRK3NTRK2
SCHEMBL1940057 0.85 PDGFRB (0.59) PDGFRBPDPK1NTRK1NTRK3NTRK2
SCHEMBL4076329 0.84 PDGFRB (0.63) PDGFRBPDPK1NTRK1NTRK3NTRK2
SCHEMBL4086132 0.84 PDGFRB (0.62) PDGFRBPDPK1NTRK1NTRK3NTRK2
SCHEMBL4083193 0.84 PDGFRB (0.64) PDGFRBPDPK1NTRK1NTRK3NTRK2

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 PDGFRB 2700/4885PDPK1 947/4885NTRK1 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.