SCHEMBL101808

SCHEMBL101808

CC1(C=CC(=O)O)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
FFAR3 O14843 1/20 0.35
UGT2B7 P16662 2/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
HCAR2 Q8TDS4 3/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.30
CYP2C9 P11712 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
SCHEMBL10702869 0.98 CYP1A2 (0.38) CYP1A2TSHRTP53EGLN1EGLN3
SCHEMBL14400223 0.98 CYP1A2 (0.38) CYP1A2TSHRTP53EGLN1EGLN3
SCHEMBL4965566 0.98 CYP1A2 (0.38) CYP1A2TSHRTP53EGLN1EGLN3
SCHEMBL2772093 0.80 CYP1A2 (0.33) CYP1A2TSHRTP53EGLN1EGLN3
SCHEMBL10616734 0.76 PTPN2 (0.34)
SCHEMBL10616731 0.76 PTPN2 (0.34)
SCHEMBL1069247 0.76 CYP1A2 (0.36) CYP1A2TSHRTP53EGLN1EGLN3
SCHEMBL11117626 0.71 CYP2C19 (0.37) CYP1A2TSHRTP53EGLN1EGLN3
SCHEMBL4624715 0.71 CYP1A2 (0.33) CYP1A2RXRARXRBRXRGRARB
SCHEMBL22734220 0.71 HCAR2 (0.47) HCAR2ALDH1A1

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
EP-2426129-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-03-07 EP disclosed
EP-1966202-B1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2011-09-21 EP disclosed
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 US disclosed
US-20110224157-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 US disclosed
EP-2348023-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-27 EP disclosed
EP-2343299-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP disclosed
EP-2343298-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP 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-20110224157-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CYP1A2 1683/4885TSHR 3192/4885TP53 787/4885
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CYP1A2 1683/4885TSHR 3192/4885TP53 787/4885

“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.