SCHEMBL4825086

SCHEMBL4825086

CN1CCC(n2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.70
SRC P12931 6/20 0.70
JAK2 O60674 4/20 0.70
KDR P35968 3/20 0.70
DYRK3 O43781 2/20 0.70
CDK1 P06493 2/20 0.70
ROS1 P08922 2/20 0.70
RPS6KB1 P23443 2/20 0.70
CDK2 P24941 2/20 0.70
CSNK1A1 P48729 2/20 0.70
CSNK1D P48730 2/20 0.70
CLK2 P49760 2/20 0.70
IRAK1 P51617 2/20 0.70
CDK5 Q00535 2/20 0.70
DYRK1A Q13627 2/20 0.70
NTRK3 Q16288 2/20 0.70
SLK Q9H2G2 2/20 0.70
CLK4 Q9HAZ1 2/20 0.70
CDC7 O00311 1/20 0.70
PLK4 O00444 1/20 0.70

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
SCHEMBL5812789 0.95 LCK (0.64) LCKSRCJAK2KDRDYRK3
SCHEMBL31612025 0.95 LCK (0.64) LCKSRCJAK2KDRDYRK3
SCHEMBL7000569 0.93 SRC (0.61) LCKSRCJAK2KDRDYRK3
SCHEMBL13020470 0.92 JAK2 (0.63) LCKSRCJAK2KDRDYRK3
SCHEMBL3782860 0.92 JAK2 (0.63) LCKSRCJAK2KDRDYRK3
SCHEMBL23847532 0.90 LCK (0.67) LCKSRCJAK2KDRDYRK3
SCHEMBL760440 0.90 LCK (0.67) LCKSRCJAK2KDRDYRK3
SCHEMBL2960034 0.90 LCK (0.67) LCKSRCJAK2KDRDYRK3
SCHEMBL760441 0.90 LCK (0.67) LCKSRCJAK2KDRDYRK3
SCHEMBL24096480 0.89 JAK2 (0.86) LCKSRCJAK2KDRDYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317758-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-09-26 US disclosed
CN-117597346-A NEK7 inhibitors 哈利亚治疗公司 2024-02-23 CN disclosed
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 EP disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
CN-116075513-A Inhibitors of NEK7 kinase 哈利亚治疗公司 2023-05-05 CN disclosed
EP-4161933-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2023-04-12 EP disclosed
WO-2022216680-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-13 WO disclosed
WO-2021252488-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2021-12-16 WO disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 US disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 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 (4 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-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 LCK 1534/4885SRC 2167/4885JAK2 1515/4885
US-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 LCK 1581/4885SRC 651/4885JAK2 1514/4885
US-20240317758-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 LCK 3550/4885SRC 1649/4885JAK2 2736/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 LCK 1011/4885SRC 1834/4885JAK2 1212/4885

“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.