SCHEMBL19659912

SCHEMBL19659912

CC(C)(C)OC(=O)n1cc(C2=CNNC2)c2cccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 10/20 0.38
▸ POLB P06746 1/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ DTYMK P23919 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ MARK3 P27448 1/20 0.37
▸ MAP4K2 Q12851 1/20 0.37
▸ CAMK2B Q13554 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ CCNB2 O95067 2/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ CCNB1 P14635 2/20 0.35
▸ CCNB3 Q8WWL7 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ PRKCB P05771 1/20 0.35

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
SCHEMBL26646689 0.79 HTR2A (0.49) ELANEPOLBDDB1CRBNDTYMK
SCHEMBL26646679 0.79 HTR2A (0.49) ELANEPOLBDDB1CRBNDTYMK
SCHEMBL25427911 0.79 HTR2A (0.49) ELANEPOLBDDB1CRBNDTYMK
SCHEMBL30548042 0.77 DTYMK (0.42) ELANEPOLBDDB1CRBNDTYMK
SCHEMBL25286384 0.77 DTYMK (0.42) ELANEPOLBDDB1CRBNDTYMK
SCHEMBL4879856 0.77 HTR6 (0.56) —
SCHEMBL18253164 0.76 JAK1 (0.45) ELANEPIM1MARK3MAP4K2CAMK2B
SCHEMBL31219308 0.75 ELANE (0.47) ELANEPOLBDDB1CRBNDTYMK
SCHEMBL13425915 0.75 ELANE (0.47) ELANEPOLBDDB1CRBNDTYMK
SCHEMBL31710700 0.74 ELANE (0.51) ELANECCNB2CDK1CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2019-04-04 — — US disclosed
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-29 — — US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 — — US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 — — 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 (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-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC ELANE 1125/4885POLB 195/4885DDB1 3838/4885
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water SOD1, MPO, TFRC ELANE 1125/4885POLB 195/4885DDB1 3838/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC ELANE 1125/4885POLB 195/4885DDB1 3838/4885

“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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