SCHEMBL9967208

SCHEMBL9967208

O=C(NC1CCN(c2ncnc3c2c(Br)cn3S(=O)(=O)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
AKT1 P31749 1/20 0.50
ALDH1A1 P00352 4/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
POLB P06746 2/20 0.46
PAK1 Q13153 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MAP3K6 O95382 1/20 0.42
MAP3K5 Q99683 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42

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
SCHEMBL9967042 0.89 MEN1 (0.55) MEN1KMT2AAKT1ALDH1A1CNR1
SCHEMBL9966932 0.88 MEN1 (0.51) MEN1KMT2AAKT1ALDH1A1CNR1
SCHEMBL15456289 0.87 MEN1 (0.41) MEN1KMT2AAKT1ALDH1A1CNR1
SCHEMBL9967037 0.87 MEN1 (0.50) MEN1KMT2AAKT1ALDH1A1CNR1
SCHEMBL9966952 0.86 MEN1 (0.49) MEN1KMT2AAKT1ALDH1A1CNR1
SCHEMBL9967148 0.86 AKT1 (0.45) AKT1ALDH1A1CNR1CNR2
SCHEMBL15459822 0.85 MEN1 (0.48) MEN1KMT2AAKT1ALDH1A1CNR1
SCHEMBL15456693 0.83 MEN1 (0.37) MEN1KMT2AAKT1ALDH1A1CNR1
SCHEMBL9967213 0.83 MEN1 (0.46) MEN1KMT2AAKT1ALDH1A1CNR1
SCHEMBL15456340 0.83 LRRK2 (0.41) MEN1KMT2AAKT1ALDH1A1CNR1

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-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-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
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
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-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-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
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 MEN1 2070/4885KMT2A 2342/4885AKT1 339/4885
US-20160067251-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 MEN1 2070/4885KMT2A 2342/4885AKT1 339/4885
US-20140038957-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 MEN1 2070/4885KMT2A 2342/4885AKT1 339/4885

“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.