SCHEMBL1939972

SCHEMBL1939972

COc1ccc(C)cc1NC(=O)Nc1cccc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.74
ERBB2 P04626 5/20 0.74
ERBB3 P21860 5/20 0.74
ERBB4 Q15303 5/20 0.74
TEK Q02763 4/20 0.74
PDGFRB P09619 1/20 0.69
NTRK1 P04629 5/20 0.52
NTRK2 Q16620 3/20 0.52
NTRK3 Q16288 2/20 0.52
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KDR P35968 3/20 0.48
KCNH2 Q12809 3/20 0.47
KIT P10721 2/20 0.47
FLT3 P36888 2/20 0.47

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
SCHEMBL1939252 0.94 EGFR (0.65) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941492 0.93 EGFR (0.71) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940468 0.92 PDGFRB (0.73) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939633 0.90 PDGFRB (0.73) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL4080535 0.90 EGFR (0.60) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939979 0.90 PDGFRB (0.62) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939981 0.89 PDGFRB (0.64) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939618 0.89 PDGFRB (0.73) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940301 0.89 PDGFRB (0.76) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939484 0.89 PDGFRB (0.73) EGFRERBB2ERBB3ERBB4TEK

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-1578751-B1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PROD INC (US) 2011-06-15 EP claimed
US-7271262-B2 Pyrrolopyrimidine derivatives PFIZER INC (US) 2007-09-18 US claimed
EP-1578751-A1 PYRROLOPYRIMIDINE DERIVATIVES Pfizer Products Inc. (US) 2005-09-28 EP claimed
US-20050037999-A1 Pyrrolopyrimidine derivatives PFIZER INC 2005-02-17 US claimed
WO-2004056830-A1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-07-08 WO claimed
EP-1578751-B1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PROD INC (US) 2011-06-15 EP disclosed
US-7271262-B2 Pyrrolopyrimidine derivatives PFIZER INC (US) 2007-09-18 US 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 (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-20050037999-A1 Pyrrolopyrimidine derivatives CCNA1, CCNT1, TP53 EGFR 2758/4885ERBB2 2738/4885ERBB3 3091/4885

“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.