SCHEMBL9967254

SCHEMBL9967254

COCC1CN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.43
CRBN Q96SW2 2/20 0.43
NR1H2 P55055 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 2/20 0.38
THRB P10828 1/20 0.38
PDE4B Q07343 1/20 0.37
HPGD P15428 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL2348480 0.90 DDB1 (0.40) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL20820446 0.86 DDB1 (0.41) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL20971792 0.86 DDB1 (0.41) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL31339121 0.86 NR1H2 (0.49) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL656014 0.86 DDB1 (0.44) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL13360731 0.85 DDB1 (0.40) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL28845330 0.84 DDB1 (0.43) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL6023255 0.84 DDB1 (0.44) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL2250558 0.83 DDB1 (0.45) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL2250561 0.83 DDB1 (0.45) DDB1CRBNNR1H2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210748-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2017-07-27 US disclosed
US-20170210748-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2017-07-27 US disclosed
US-9585886-B2 ASK1 inhibiting pyrrolopyrimidine derivatives CALCHAN LIMITED (GB) 2017-03-07 US disclosed
US-9585886-B2 ASK1 inhibiting pyrrolopyrimidine derivatives CALCHAN LIMITED (GB) 2017-03-07 US disclosed
EP-2651417-B1 ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES CALCHAN LTD (GB) 2016-11-30 EP disclosed
US-20160067251-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES GALAPAGOS NV (BE) 2016-03-10 US disclosed
US-20160067251-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES GALAPAGOS NV (BE) 2016-03-10 US disclosed
US-9045485-B2 ASK 1 inhibiting pyrrolopyrimidine derivatives Convergence Pharmaceuticals Limited (GB) 2015-06-02 US disclosed
US-9045485-B2 ASK 1 inhibiting pyrrolopyrimidine derivatives Convergence Pharmaceuticals Limited (GB) 2015-06-02 US disclosed
US-20140038957-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited 2014-02-06 US disclosed
US-20140038957-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited 2014-02-06 US disclosed
WO-2012080735-A1 ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2012-06-21 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 (3 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-20170210748-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 DDB1 695/4885CRBN 2662/4885NR1H2 2671/4885
US-20160067251-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 DDB1 695/4885CRBN 2662/4885NR1H2 2671/4885
US-20140038957-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 DDB1 695/4885CRBN 2662/4885NR1H2 2671/4885

“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.