SCHEMBL3050473

SCHEMBL3050473

Nc1nccc2c1c(I)nn2CC#CCN1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ AHCY P23526 1/20 0.33
▸ RET P07949 4/20 0.32
▸ KIF5B P33176 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ADK P55263 3/20 0.31
▸ DOT1L Q8TEK3 1/20 0.31
▸ DCLK1 O15075 1/20 0.31
▸ DAPK3 O43293 1/20 0.31
▸ DYRK3 O43781 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ ROS1 P08922 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ FLT3 P36888 1/20 0.31

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
SCHEMBL5819603 0.82 MAPK13 (0.37) ALDH1A1HTTPOLBFLT3DYRK1A
SCHEMBL2964103 0.80 AHCY (0.36) AHCYRETADKDYRK3CDK1
SCHEMBL2429551 0.71 NOS2 (0.35) RETADKDYRK3CDK1ROS1
SCHEMBL6248086 0.69 YES1 (0.39) ALDH1A1SRC
SCHEMBL2425869 0.69 AHCY (0.34) AHCYRETADKDOT1LDCLK1
SCHEMBL4823820 0.67 SRC (0.44) RETADKDOT1LDCLK1DAPK3
SCHEMBL2962699 0.67 JAK2 (0.43) AHCYRETADKDOT1LDCLK1
SCHEMBL2962694 0.67 JAK2 (0.40) RETADKDOT1LDCLK1DAPK3
SCHEMBL24096562 0.65 RET (0.51) RETADKDYRK3CDK1ROS1
SCHEMBL2962536 0.65 MAP4K4 (0.41) RETADKDOT1LDCLK1DAPK3

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 KDM4E 2606/4885ALDH1A1 4453/4885TDP1 878/4885

“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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