SCHEMBL15880929

SCHEMBL15880929

COc1cc(C(=O)N2CC2)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
POLB P06746 2/20 0.59
CYP2C19 P33261 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
HSD11B1 P28845 1/20 0.57
CYP1A2 P05177 1/20 0.56
HPGD P15428 2/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 1/20 0.56
ATM Q13315 1/20 0.56
HSD17B10 Q99714 1/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
MAPK1 P28482 1/20 0.52
GLA P06280 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL12312321 0.94 ALDH1A1 (0.54) ALDH1A1POLBCYP2C19L3MBTL1HSD11B1
SCHEMBL29531076 0.94 POLB (0.63) ALDH1A1POLBCYP2C19L3MBTL1HSD11B1
SCHEMBL520418 0.94 POLB (0.63) ALDH1A1POLBCYP2C19L3MBTL1HSD11B1
SCHEMBL1782181 0.94 HPGD (0.64) ALDH1A1POLBCYP2C19L3MBTL1HSD11B1
SCHEMBL30870987 0.94 HPGD (0.64) ALDH1A1POLBCYP2C19L3MBTL1HSD11B1
SCHEMBL30871381 0.94 HPGD (0.60) ALDH1A1POLBCYP2C19L3MBTL1HSD11B1
SCHEMBL15651739 0.94 HPGD (0.60) ALDH1A1POLBCYP2C19L3MBTL1HSD11B1
SCHEMBL13575486 0.92 HPGD (0.63) ALDH1A1POLBCYP2C19L3MBTL1HSD11B1
SCHEMBL29531267 0.91 PKM (0.57) ALDH1A1POLBCYP2C19L3MBTL1HSD11B1
SCHEMBL11300155 0.91 PKM (0.57) ALDH1A1POLBCYP2C19L3MBTL1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795607-B2 Substituted pyrrolopyrimidine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-10-24 US disclosed
EP-3202403-A1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2017-08-09 EP disclosed
EP-2945636-B1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2017-06-28 EP disclosed
US-20160324861-A1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICAL LLC (US) 2016-11-10 US disclosed
US-9428509-B2 Substituted pyrrolopyrimidine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2016-08-30 US disclosed
US-9346812-B2 Substituted pyrrolopyrimidine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2016-05-24 US disclosed
EP-2945636-A2 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2015-11-25 EP disclosed
WO-2014113429-A2 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2014-07-24 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-20160324861-A1 SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BRCA1, DPYD, TYMP ALDH1A1 647/4885POLB 210/4885CYP2C19 771/4885

“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.