SCHEMBL1939693

SCHEMBL1939693

Nc1ncnc2c1c(C(=O)c1cccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)c1)cn2CCO

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.61
TEK Q02763 8/20 0.59
EGFR P00533 7/20 0.59
ERBB2 P04626 7/20 0.59
ERBB3 P21860 7/20 0.59
ERBB4 Q15303 7/20 0.59
KDR P35968 5/20 0.52
RIPK1 Q13546 1/20 0.43
NTRK2 Q16620 3/20 0.42
NTRK1 P04629 3/20 0.42
KCNH2 Q12809 1/20 0.42
NTRK3 Q16288 1/20 0.42
KIT P10721 2/20 0.42
AURKA O14965 1/20 0.41
IKBKE Q14164 1/20 0.41
AURKB Q96GD4 1/20 0.41
FLT3 P36888 1/20 0.40

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
SCHEMBL1940814 0.90 EGFR (0.56) PDGFRBTEKEGFRERBB2ERBB3
SCHEMBL1939934 0.87 PDGFRB (0.68) PDGFRBTEKEGFRERBB2ERBB3
SCHEMBL1941266 0.85 EGFR (0.51) PDGFRBTEKEGFRERBB2ERBB3
SCHEMBL1940880 0.83 PDGFRB (0.69) PDGFRBTEKEGFRERBB2ERBB3
SCHEMBL6221332 0.81 TEK (0.47) PDGFRBTEKEGFRERBB2ERBB3
SCHEMBL1941198 0.80 ITGA1 (0.52) PDGFRBTEKEGFRERBB2ERBB3
SCHEMBL6221329 0.80 SRC (0.46) PDGFRBTEKEGFRERBB2ERBB3
SCHEMBL1939610 0.80 PDGFRB (0.79) PDGFRBTEKEGFRERBB2ERBB3
SCHEMBL1941516 0.80 EGFR (0.57) PDGFRBTEKEGFRERBB2ERBB3
SCHEMBL1940603 0.79 EGFR (0.64) PDGFRBTEKEGFRERBB2ERBB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050037999-A1 Pyrrolopyrimidine derivatives PFIZER INC 2005-02-17 US 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 PDGFRB 2465/4885TEK 1536/4885EGFR 2758/4885

“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.