SCHEMBL9967148

SCHEMBL9967148

CNC1CCN(c2ncnc3c2c(Br)cn3S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.45
LRRK2 Q5S007 3/20 0.42
STK3 Q13188 2/20 0.42
STK4 Q13043 1/20 0.42
TP53 P04637 1/20 0.40
FFAR2 O15552 4/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HTR6 P50406 1/20 0.38
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
PDPK1 O15530 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
PAK4 O96013 1/20 0.37
CHEK2 O96017 1/20 0.37
EGFR P00533 1/20 0.37
NTRK1 P04629 1/20 0.37

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
SCHEMBL9967208 0.86 MEN1 (0.53) AKT1CNR1CNR2ALDH1A1
SCHEMBL3533481 0.84 SMN1; SMN2 (0.46) LRRK2STK3FFAR2HTR6CDC7
SCHEMBL15456342 0.83 GPR55 (0.39) AKT1LRRK2TP53FFAR2HTR6
SCHEMBL15456340 0.83 LRRK2 (0.41) AKT1LRRK2FFAR2CNR1CNR2
SCHEMBL3648671 0.79 AKT1 (0.40) AKT1LRRK2TP53FFAR2HTR6
SCHEMBL4216007 0.79 AKT1 (0.40) AKT1LRRK2TP53FFAR2HTR6
SCHEMBL15459820 0.78 PDE10A (0.39) AKT1TP53FFAR2HTR6JAK2
SCHEMBL9967214 0.78 CCR5 (0.43) TP53ALDH1A1
SCHEMBL15456289 0.77 MEN1 (0.41) AKT1CNR1CNR2ALDH1A1
SCHEMBL18265825 0.77 LRRK2 (0.49) AKT1LRRK2STK3STK4CNR1

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 AKT1 339/4885LRRK2 48/4885STK3 53/4885
US-20160067251-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 AKT1 339/4885LRRK2 48/4885STK3 53/4885
US-20140038957-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 AKT1 339/4885LRRK2 48/4885STK3 53/4885

“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.