SCHEMBL4080535

SCHEMBL4080535

COc1ccc(C)cc1NC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.60
ERBB2 P04626 2/20 0.60
ERBB3 P21860 2/20 0.60
TEK Q02763 2/20 0.60
ERBB4 Q15303 2/20 0.60
NTRK1 P04629 16/20 0.59
NTRK2 Q16620 3/20 0.59
KCNH2 Q12809 2/20 0.59
NTRK3 Q16288 2/20 0.59
PDGFRB P09619 1/20 0.55
PDPK1 O15530 1/20 0.49

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
SCHEMBL4086522 0.91 EGFR (0.63) EGFRERBB2ERBB3TEKERBB4
SCHEMBL1939972 0.90 EGFR (0.74) EGFRERBB2ERBB3TEKERBB4
SCHEMBL4089415 0.89 NTRK1 (0.63) EGFRERBB2ERBB3TEKERBB4
SCHEMBL4081237 0.88 PDGFRB (0.67) NTRK1NTRK2KCNH2NTRK3PDGFRB
SCHEMBL1939979 0.87 PDGFRB (0.62) EGFRERBB2ERBB3TEKERBB4
SCHEMBL1939975 0.86 TEK (0.58) EGFRERBB2ERBB3TEKERBB4
SCHEMBL4088526 0.86 NTRK1 (0.64) NTRK1NTRK2KCNH2NTRK3PDGFRB
SCHEMBL4078771 0.86 PDGFRB (0.69) EGFRERBB2ERBB3TEKERBB4
SCHEMBL4081085 0.85 NTRK1 (0.66) NTRK1NTRK2KCNH2NTRK3PDGFRB
SCHEMBL1940201 0.85 NTRK1 (0.58) EGFRERBB2ERBB3TEKERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773836-B1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT PFIZER PROD INC (US) 2012-09-05 EP claimed
US-7595325-B2 Substituted pyrrolo[2,3-d]pyrimidine derivatives useful in cancer treatment PFIZER INC. (US) 2009-09-29 US claimed
EP-1773836-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT Pfizer Products Inc. (US) 2007-04-18 EP claimed
US-20060035912-A1 Pyrrolopyrimidine derivatives useful in cancer treatment PFIZER INC 2006-02-16 US claimed
WO-2005116035-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT PFIZER PRODUCTS INC. (US) 2005-12-08 WO claimed
EP-1773836-B1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT PFIZER PROD INC (US) 2012-09-05 EP disclosed
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 EGFR 864/4885ERBB2 1637/4885ERBB3 1775/4885

“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.