SCHEMBL9967211

SCHEMBL9967211

Cc1c[nH]c2ncnc(N3CCC(NC(=O)OC(C)(C)C)CC3)c12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.64
MAP3K6 O95382 3/20 0.61
MAP3K5 Q99683 3/20 0.61
LIMK2 P53671 7/20 0.55
BTK Q06187 1/20 0.54

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
SCHEMBL20641460 0.89 MAP3K5 (0.59) AKT1MAP3K6MAP3K5BTK
SCHEMBL24805277 0.85 AKT1 (0.53) AKT1MAP3K6MAP3K5LIMK2
SCHEMBL20640493 0.82 MAP3K5 (0.71) AKT1MAP3K6MAP3K5LIMK2
SCHEMBL1001746 0.82 CNR1 (0.50) AKT1MAP3K6MAP3K5BTK
SCHEMBL15456742 0.82 AKT1 (0.54) AKT1MAP3K6MAP3K5LIMK2
SCHEMBL28367843 0.81 AKT1 (0.57) AKT1LIMK2BTK
SCHEMBL6832454 0.80 ADRB2 (0.52) AKT1MAP3K6MAP3K5BTK
SCHEMBL24805938 0.80 AKT1 (0.48) AKT1MAP3K6MAP3K5LIMK2
SCHEMBL1005506 0.80 KIT (0.60)
SCHEMBL30151464 0.80 KIT (0.60)

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169653-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES GALAPAGOS NV (BE) 2022-06-02 US disclosed
US-20220169653-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES GALAPAGOS NV (BE) 2022-06-02 US disclosed
US-11136325-B2 Pyrrolopyrimidine and pyrrolopyridine derivatives GALAPAGOS NV (BE) 2021-10-05 US disclosed
US-11136325-B2 Pyrrolopyrimidine and pyrrolopyridine derivatives GALAPAGOS NV (BE) 2021-10-05 US disclosed
US-20200165259-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES GALAPAGOS NV (BE) 2020-05-28 US disclosed
US-20200165259-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES GALAPAGOS NV (BE) 2020-05-28 US disclosed
EP-3652173-A1 ASK1 INHIBITING PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES Galapagos NV (BE) 2020-05-20 EP disclosed
CN-111094283-A ASK 1-inhibiting pyrrolopyrimidine and pyrrolopyridine derivatives 加拉帕戈斯股份有限公司 2020-05-01 CN disclosed
WO-2019012284-A1 ASK1 INHIBITING PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES GALAPAGOS NV (BE) 2019-01-17 WO disclosed
WO-2019012284-A1 ASK1 INHIBITING PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES GALAPAGOS NV (BE) 2019-01-17 WO 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 (5 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-20200165259-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES IRAK1, PEAK1, MARK1 AKT1 2561/4885MAP3K6 33/4885MAP3K5 14/4885
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
US-11136325-B2 Pyrrolopyrimidine and pyrrolopyridine derivatives IRAK1, PEAK1, MARK1 AKT1 2561/4885MAP3K6 33/4885MAP3K5 14/4885
US-20220169653-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES IRAK1, PEAK1, MARK1 AKT1 2561/4885MAP3K6 33/4885MAP3K5 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.