SCHEMBL9967221

SCHEMBL9967221

CCc1c[nH]c2ncnc(N3CCC(NC(=O)c4ccccc4)CC3)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.69
MAP3K6 O95382 4/20 0.56
MAP3K5 Q99683 4/20 0.56
BTK Q06187 2/20 0.52
LRRK2 Q5S007 3/20 0.52
STK3 Q13188 2/20 0.52
STK4 Q13043 1/20 0.52
PAK1 Q13153 2/20 0.51
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
PDPK1 O15530 1/20 0.51
JAK2 O60674 1/20 0.51
ROCK2 O75116 1/20 0.51
PAK4 O96013 1/20 0.51
CHEK2 O96017 1/20 0.51
EGFR P00533 1/20 0.51
NTRK1 P04629 1/20 0.51
PRKCG P05129 1/20 0.51

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
SCHEMBL9967063 0.88 AKT1 (0.89) AKT1MAP3K6MAP3K5BTKPAK1
SCHEMBL9941331 0.86 AKT1 (0.69) AKT1MAP3K6MAP3K5BTKLRRK2
SCHEMBL9966951 0.86 MAP3K5 (0.74) AKT1MAP3K6MAP3K5LRRK2STK3
SCHEMBL9967231 0.85 AKT1 (0.68) AKT1MAP3K6MAP3K5BTKLRRK2
SCHEMBL9966950 0.84 AKT1 (0.67) AKT1MAP3K6MAP3K5BTKLRRK2
SCHEMBL15459831 0.83 AKT1 (0.66) AKT1MAP3K6MAP3K5LRRK2STK3
SCHEMBL15459828 0.81 LRRK2 (0.67) AKT1MAP3K6MAP3K5LRRK2STK3
SCHEMBL9967164 0.81 AKT1 (0.62) AKT1MAP3K6MAP3K5LRRK2STK3
SCHEMBL9938833 0.79 AKT1 (0.74) AKT1MAP3K6MAP3K5PAK1LIMK2
SCHEMBL9967045 0.78 KIT (0.65) AKT1BTKPAK1JAK2LCK

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 AKT1 339/4885MAP3K6 14/4885MAP3K5 16/4885
US-20160067251-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 AKT1 339/4885MAP3K6 14/4885MAP3K5 16/4885
US-20140038957-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 AKT1 339/4885MAP3K6 14/4885MAP3K5 16/4885

“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.