SCHEMBL2964103

SCHEMBL2964103

Nc1nccc2c1c(I)nn2CC#CCCl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.36
▸ ADK P55263 1/20 0.33
▸ CDC7 O00311 1/20 0.30
▸ PLK4 O00444 1/20 0.30
▸ DYRK3 O43781 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ PRKD3 O94806 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ NTRK1 P04629 1/20 0.30
▸ INSR P06213 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ RET P07949 1/20 0.30
▸ ROS1 P08922 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ FER P16591 1/20 0.30
▸ PRKACA P17612 1/20 0.30
▸ RPS6KB1 P23443 1/20 0.30
▸ CDK2 P24941 1/20 0.30

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
SCHEMBL3050473 0.80 KDM4E (0.34) AHCYADKDYRK3LCKCDK1
SCHEMBL2429551 0.77 NOS2 (0.35) ADKCDC7PLK4DYRK3JAK2
SCHEMBL2425869 0.74 AHCY (0.34) AHCYADKCDC7PLK4DYRK3
SCHEMBL30566253 0.68 RET (0.40) RETKDR
SCHEMBL21439802 0.68 RET (0.40) RETKDR
SCHEMBL24096562 0.67 RET (0.51) ADKCDC7PLK4DYRK3JAK2
SCHEMBL6248086 0.67 YES1 (0.39) SRCGSK3B
SCHEMBL5819603 0.66 MAPK13 (0.37) MAPK1KDRGSK3BDYRK1A
SCHEMBL1482339 0.65 RET (0.53) RETKDR
SCHEMBL29897212 0.65 RET (0.53) RETKDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973917-B1 PROTEIN KINASE INHIBITORS ABBVIE INC (US) 2015-06-10 — — EP disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 — — US disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 — — US 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 (1 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-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 AHCY 2554/4885ADK 249/4885CDC7 115/4885

“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.

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