SCHEMBL9966970

SCHEMBL9966970

Cc1ccc(C(=O)NC2CCN(c3ncnc4[nH]cc(C)c34)CC2)cn1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.69
MAP3K6 O95382 4/20 0.67
MAP3K5 Q99683 4/20 0.67
LIMK2 P53671 6/20 0.58
PAK1 Q13153 1/20 0.56
STK4 Q13043 1/20 0.52
STK3 Q13188 1/20 0.52
LRRK2 Q5S007 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
SCHEMBL9967063 0.88 AKT1 (0.89) AKT1MAP3K6MAP3K5LIMK2PAK1
SCHEMBL9938833 0.87 AKT1 (0.74) AKT1MAP3K6MAP3K5LIMK2PAK1
SCHEMBL9967233 0.86 AKT1 (0.67) AKT1MAP3K6MAP3K5LIMK2STK4
SCHEMBL15456664 0.84 AKT1 (0.69) AKT1MAP3K6MAP3K5LIMK2PAK1
SCHEMBL9967064 0.83 MAP3K6 (0.71) AKT1MAP3K6MAP3K5LIMK2PAK1
Hydrochloric Acid SCHEMBL9943180 0.83 AKT1 (0.68) AKT1MAP3K6MAP3K5LIMK2PAK1
SCHEMBL9967162 0.81 AKT1 (0.68) AKT1MAP3K6MAP3K5LIMK2PAK1
SCHEMBL9967222 0.81 AKT1 (0.66) AKT1MAP3K6MAP3K5LIMK2PAK1
SCHEMBL9967046 0.81 AKT1 (0.68) AKT1MAP3K6MAP3K5LIMK2STK4
SCHEMBL20640512 0.80 MAP3K5 (1.00) AKT1MAP3K6MAP3K5LIMK2PAK1

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.