SCHEMBL5316698

SCHEMBL5316698

COc1ccc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.55
PDPK1 O15530 1/20 0.52
NTRK1 P04629 4/20 0.51
NTRK2 Q16620 3/20 0.51
NTRK3 Q16288 2/20 0.51
RET P07949 6/20 0.51
KCNH2 Q12809 3/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDR P35968 6/20 0.48
LCK P06239 4/20 0.48
TEK Q02763 2/20 0.48
SRC P12931 4/20 0.48
PIK3CD O00329 3/20 0.45
PIK3CA P42336 3/20 0.45
PIK3CB P42338 3/20 0.45
PIK3CG P48736 3/20 0.45
PRKDC P78527 3/20 0.45

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
SCHEMBL6220421 0.90 PDGFRB (0.54) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL5315885 0.87 PDGFRB (0.51) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL1940704 0.85 PDGFRB (0.51) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL1940486 0.84 PDGFRB (0.51) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL1941196 0.84 NTRK1 (0.59) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL1940773 0.84 NTRK1 (0.55) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL5350777 0.83 PDGFRB (0.49) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL6223876 0.83 PDGFRB (0.53) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL1941531 0.82 PDGFRB (0.66) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL1941303 0.82 PDGFRB (0.51) PDGFRBPDPK1NTRK1NTRK2NTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287719-A1 Salts, Prodrugs and Formulations of 1-[5-(4-Amino-7-Isopropyl-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonyl)-2-Methoxy-Phenyl]-3-(2,4-Dichloro-Phenyl)-Urea PFIZER INC 2007-12-13 US disclosed
US-20070287719-A1 Salts, Prodrugs and Formulations of 1-[5-(4-Amino-7-Isopropyl-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonyl)-2-Methoxy-Phenyl]-3-(2,4-Dichloro-Phenyl)-Urea PFIZER INC 2007-12-13 US disclosed
US-20070287719-A1 Salts, Prodrugs and Formulations of 1-[5-(4-Amino-7-Isopropyl-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonyl)-2-Methoxy-Phenyl]-3-(2,4-Dichloro-Phenyl)-Urea PFIZER INC 2007-12-13 US disclosed
WO-2007066189-A2 SALTS, PRODRUGS AND FORMULATIONS OF 1-[5-(4-AMINO-7-ISOPROPYL-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONYL)-2-METHOXY-PHENYL]-3-(2,4-DICHLORO-PHENYL)-UREA PFIZER PRODUCTS INC. (US) 2007-06-14 WO disclosed
EP-1578751-A1 PYRROLOPYRIMIDINE DERIVATIVES Pfizer Products Inc. (US) 2005-09-28 EP disclosed
US-20050037999-A1 Pyrrolopyrimidine derivatives PFIZER INC 2005-02-17 US disclosed
WO-2004056830-A1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-07-08 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 (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-20050037999-A1 Pyrrolopyrimidine derivatives CCNA1, CCNT1, TP53 PDGFRB 2465/4885PDPK1 832/4885NTRK1 4135/4885
US-20070287719-A1 Salts, Prodrugs and Formulations of 1-[5-(4-Amino-7-Isopropyl-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonyl)-2-Methoxy-Phenyl]-3-(2,4-Dichloro-Phenyl)-Urea CDKN1A, DPYD, SLC14A1 PDGFRB 3365/4885PDPK1 1357/4885NTRK1 4755/4885

“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.