SCHEMBL9967162

SCHEMBL9967162

COc1cccc(C(=O)NC2CCN(c3ncnc4[nH]cc(C)c34)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.68
LIMK2 P53671 11/20 0.67
MAP3K6 O95382 4/20 0.61
MAP3K5 Q99683 4/20 0.61
PAK1 Q13153 1/20 0.53
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
ROCK2 O75116 1/20 0.52
PRKACA P17612 1/20 0.52
PRKACG P22612 1/20 0.52
PRKACB P22694 1/20 0.52
LIMK1 P53667 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
SCHEMBL9938638 0.87 AKT1 (0.61) AKT1LIMK2MAP3K6MAP3K5
SCHEMBL9967063 0.87 AKT1 (0.89) AKT1LIMK2MAP3K6MAP3K5PAK1
SCHEMBL9967222 0.86 AKT1 (0.66) AKT1LIMK2MAP3K6MAP3K5PAK1
SCHEMBL9967230 0.85 AKT1 (0.59) AKT1LIMK2MAP3K6MAP3K5
SCHEMBL9967126 0.84 AKT1 (0.59) AKT1LIMK2MAP3K6MAP3K5
SCHEMBL9967223 0.84 AKT1 (0.57) AKT1LIMK2MAP3K6MAP3K5
Hydrochloric Acid SCHEMBL15456435 0.84 AKT1 (0.57) AKT1LIMK2MAP3K6MAP3K5
SCHEMBL9966968 0.84 PAK1 (0.59) LIMK2PAK1ALDH1A1TSHRROCK2
SCHEMBL9967233 0.83 AKT1 (0.67) AKT1LIMK2MAP3K6MAP3K5
SCHEMBL15456664 0.83 AKT1 (0.69) AKT1LIMK2MAP3K6MAP3K5PAK1

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 11 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
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 339/4885LIMK2 375/4885MAP3K6 14/4885
US-20160067251-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 AKT1 339/4885LIMK2 375/4885MAP3K6 14/4885
US-20140038957-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 AKT1 339/4885LIMK2 375/4885MAP3K6 14/4885

“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.