SCHEMBL2013779

SCHEMBL2013779

FC1CCC[C]1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP11B2 P19099 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
HRH2 P25021 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SLC18A3 Q16572 1/20 0.30

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
SCHEMBL576359 0.94 CHRNB4 (0.35) ALDH1A1CYP11B2TSHRCHRNB4CHRNA3
SCHEMBL2537360 0.86 ALDH1A1 (0.36) ALDH1A1CYP11B2CHRNB4CHRNA3
SCHEMBL28911580 0.76 HRH3 (0.46) ALDH1A1HRH2HRH3
SCHEMBL4607832 0.74 ALDH1A1 (0.33) ALDH1A1ALOX15TSHRCHRNB4CHRNA3
SCHEMBL5485555 0.74 ALDH1A1 (0.36) ALDH1A1CYP11B2ALOX15TSHRCHRNB4
SCHEMBL17652437 0.74 ALDH1A1 (0.42) ALDH1A1
SCHEMBL15758247 0.72 IGF1R (0.46) ALDH1A1ALOX15
SCHEMBL11504128 0.71 DDB1 (0.42) ALDH1A1
SCHEMBL16817775 0.71 MAPT (0.41) ALDH1A1ALOX15TSHR
SCHEMBL7700085 0.70 CHRNB4 (0.41) ALDH1A1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372854-B2 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. (US) 2013-02-12 US claimed
EP-2513114-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS Pfizer Inc. (US) 2012-10-24 EP claimed
US-20110294826-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2011-12-01 US claimed
WO-2011075334-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2011-06-23 WO claimed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
US-8372854-B2 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. (US) 2013-02-12 US disclosed
EP-2513114-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS Pfizer Inc. (US) 2012-10-24 EP disclosed
US-20110294826-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2011-12-01 US disclosed
US-8044075-B2 IL-8 receptor antagonists GLAXOSMITHKLINE (US) 2011-10-25 US disclosed
WO-2011075334-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2011-06-23 WO disclosed
US-20100298387-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
EP-2099300-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2009-09-16 EP disclosed
WO-2008070707-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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-20100298387-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN ALDH1A1 2969/4885CYP11B2 864/4885ALOX15 802/4885
US-20110294826-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS JAK3, JAK1, JAK2 ALDH1A1 2934/4885CYP11B2 2202/4885ALOX15 2670/4885

“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.