SCHEMBL9938799

SCHEMBL9938799

Cc1c[nH]c2ncnc(N3CCC(N(C)C(=O)c4ccncc4)CC3)c12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 9/20 0.55
AKT1 P31749 8/20 0.53
MAP3K6 O95382 3/20 0.49
MAP3K5 Q99683 3/20 0.49
AKT1S1 Q96B36 1/20 0.47

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
SCHEMBL9939524 0.91 AKT1 (0.64) LIMK2AKT1AKT1S1
SCHEMBL9939408 0.89 AKT1 (0.46) LIMK2AKT1MAP3K6MAP3K5
SCHEMBL19164707 0.85 LIMK2 (0.60) LIMK2AKT1MAP3K6MAP3K5
SCHEMBL9938833 0.82 AKT1 (0.74) LIMK2AKT1MAP3K6MAP3K5
SCHEMBL15456742 0.79 AKT1 (0.54) LIMK2AKT1MAP3K6MAP3K5
SCHEMBL15456492 0.76 LIMK2 (0.58) LIMK2AKT1MAP3K6MAP3K5
SCHEMBL4869496 0.75 LIMK2 (0.72) LIMK2AKT1MAP3K6MAP3K5
SCHEMBL4438861 0.75 LIMK2 (0.69) LIMK2AKT1MAP3K6MAP3K5
SCHEMBL9967233 0.74 AKT1 (0.67) LIMK2AKT1MAP3K6MAP3K5
SCHEMBL9966954 0.73 AKT1 (0.85) LIMK2AKT1MAP3K6MAP3K5

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 26 patents — showing the first 20. 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 claimed
US-9585886-B2 ASK1 inhibiting pyrrolopyrimidine derivatives CALCHAN LIMITED (GB) 2017-03-07 US claimed
EP-2651417-B1 ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES CALCHAN LTD (GB) 2016-11-30 EP claimed
US-20160067251-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES GALAPAGOS NV (BE) 2016-03-10 US claimed
US-9045485-B2 ASK 1 inhibiting pyrrolopyrimidine derivatives Convergence Pharmaceuticals Limited (GB) 2015-06-02 US claimed
US-20140038957-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited 2014-02-06 US claimed
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
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
EP-2651417-A1 ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2013-10-23 EP disclosed
WO-2012080735-A1 ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2012-06-21 WO 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 LIMK2 375/4885AKT1 339/4885MAP3K6 14/4885
US-20160067251-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 LIMK2 375/4885AKT1 339/4885MAP3K6 14/4885
US-20140038957-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 LIMK2 375/4885AKT1 339/4885MAP3K6 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.