SCHEMBL9966969

SCHEMBL9966969

O=C(NC1CCN(c2ncnc3[nH]ccc23)CC1)c1cccc(N2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.57
RPS6KB1 P23443 1/20 0.55
KIT P10721 4/20 0.53
JAK1 P23458 1/20 0.53
PAK1 Q13153 3/20 0.52
TTBK1 Q5TCY1 1/20 0.52
TTBK2 Q6IQ55 1/20 0.52
MAPK14 Q16539 1/20 0.51
JAK2 O60674 1/20 0.51
MAP3K6 O95382 1/20 0.49
MAP3K5 Q99683 1/20 0.49
AKT2 P31751 2/20 0.48
GSK3B P49841 2/20 0.48
STK4 Q13043 1/20 0.48
STK3 Q13188 1/20 0.48
LRRK2 Q5S007 1/20 0.48
LCK P06239 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
SCHEMBL9967215 0.92 RPS6KB1 (0.58) JAK3RPS6KB1KITPAK1JAK2
SCHEMBL9967045 0.84 KIT (0.65) JAK3KITPAK1JAK2AKT2
SCHEMBL9966948 0.82 JAK2 (0.59) JAK3KITJAK1PAK1JAK2
SCHEMBL9966968 0.82 PAK1 (0.59) JAK3KITJAK1PAK1JAK2
SCHEMBL9966963 0.80 JAK3 (0.56) JAK3KITJAK1PAK1JAK2
SCHEMBL9967216 0.79 JAK2 (0.60) JAK3KITJAK1PAK1JAK2
SCHEMBL9967220 0.79 JAK3 (0.58) JAK3KITJAK1PAK1JAK2
SCHEMBL9967160 0.79 JAK3 (0.61) JAK3KITJAK1PAK1JAK2
SCHEMBL9967260 0.79 JAK3 (0.56) JAK3KITJAK1PAK1JAK2
SCHEMBL29230342 0.78 PAK1 (0.73) JAK3KITJAK1PAK1JAK2

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 JAK3 713/4885RPS6KB1 120/4885KIT 1740/4885
US-20160067251-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 JAK3 713/4885RPS6KB1 120/4885KIT 1740/4885
US-20140038957-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 JAK3 713/4885RPS6KB1 120/4885KIT 1740/4885

“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.